chempirical

1-Fluoroheptane

C7H15FCAS 661-11-0118.20 g/mol

Open in Covalent MOL file
F
Alkyl halide

Properties

Molecular formula
C7H15F
Molar mass
118.20 g/mol
Exact mass
118.1158 Da
Density
0.8029 g/mL (at 21 °C)
Melting point
−73 °C
Boiling point
117.9 °C
logP
2.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
661-11-0
SMILES
CCCCCCCF
InChIKey
BITLXSQYFZTQGC-UHFFFAOYSA-N
InChI
InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names
  • Heptane, 1-fluoro-
  • n-Heptyl fluoride
  • Heptyl fluoride

Work with 1-Fluoroheptane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Fluorodecane334-56-5100 % similar 1-Fluorododecane334-68-9100 % similar 1-Fluorooctane463-11-6100 % similar 1-Fluorononane463-18-3100 % similar 1-Fluoropentane592-50-793 % similar 1-Fluorobutane2366-52-175 % similar Octane111-65-960 % similar Nonane111-84-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook