chempirical

1-Fluorooctane

C8H17FCAS 463-11-6132.22 g/mol

Open in Covalent MOL file
F
Alkyl halide

Properties

Molecular formula
C8H17F
Molar mass
132.22 g/mol
Exact mass
132.1314 Da
Density
0.798 g/mL (at 0 °C)
Boiling point
142.4 °C
logP
3.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
463-11-6
SMILES
CCCCCCCCF
InChIKey
DHIVLKMGKIZOHF-UHFFFAOYSA-N
InChI
InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Octane, 1-fluoro-
  • Octyl fluoride
  • n-Octyl fluoride
  • 1-Octyl fluoride
  • NSC 62037

Work with 1-Fluorooctane

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-Fluorononane463-18-3100 % similar 1-Fluoroheptane661-11-0100 % 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