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Molecule record

1-FLUOROHEPTANE

C7H15F

118.19 g/mol

2D structure for 1-FLUOROHEPTANE

Molecular properties

Formula
C7H15F
Molar mass
118.19 g·mol−1
Exact mass
118.1158 Da
0
0
1
0.00 Ų
3.9 (PubChem computed XLogP3-AA descriptor)
CAS
661-11-0
PubChem CID
12619

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkyl halide

Physical properties

PropertyValueConditionsSource
Logp3.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Fluoroheptane, 98%
  • 1-fluoro-heptane
  • 211-545-0
  • 4-01-00-00387 (Beilstein Handbook Reference)
  • 661-11-0
  • BITLXSQYFZTQGC-UHFFFAOYSA-N
  • BRN 1697158
  • C7H15F
Show all 22 synonyms
  • DTXCID7044714
  • DTXSID7060964
  • EINECS 211-545-0
  • Heptane, 1-fluoro-
  • Heptyl fluoride
  • MFCD00013581
  • RefChem:75821
  • SCHEMBL30108
  • SCHEMBL3299339
  • SCHEMBL3422276
  • SCHEMBL403395
  • SCHEMBL43028
  • n-Heptyl fluoride
  • n-heptylfluorid

Structure identifiers

Canonical SMILES
CCCCCCCF
Isomeric SMILES
CCCCCCCF
InChI
InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
BITLXSQYFZTQGC-UHFFFAOYSA-N
PubChem CID
12619

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-FLUOROHEPTANE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-FLUOROHEPTANE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record