chempirical

Trifluoromethylhexan

C7H13F3CAS 693-09-4154.18 g/mol

Open in Covalent MOL file
FFF
Alkyl halide

Properties

Molecular formula
C7H13F3
Molar mass
154.18 g/mol
Exact mass
154.0969 Da
logP
3.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
693-09-4
SMILES
CCCCCCC(F)(F)F
InChIKey
JWNUWKGVARYVKY-UHFFFAOYSA-N
InChI
InChI=1S/C7H13F3/c1-2-3-4-5-6-7(8,9)10/h2-6H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • 1,1,1-Trifluoroheptane
  • 1,1,1-Trifluoro-heptane

Work with Trifluoromethylhexan

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octane111-65-950 % similar Nonane111-84-250 % similar Dodecane112-40-350 % similar Icosane112-95-850 % similar Undecane1120-21-450 % similar Decane124-18-550 % similar Tetratriacontane14167-59-050 % similar Heptane142-82-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook