Perfluoroheptanoic acid
Properties
- Molecular formula
- C7HF13O2
- Molar mass
- 364.06 g/mol
- Exact mass
- 363.9769 Da
- Melting point
- 31–36 °C
- Boiling point
- 177 °C
- logP
- 3.81Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Identifiers
CAS number
375-85-9SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FInChIKey
ZWBAMYVPMDSJGQ-UHFFFAOYSA-NInChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
- Heptanoic acid, tridecafluoro-
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid
- Perfluoroenanthic acid
- Tridecafluoroheptanoic acid
- Perfluoro-n-heptanoic acid
- PFHpA
Work with Perfluoroheptanoic acid
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
Perfluorooctadecanoic acid16517-11-6100 % similar
Perfluorohexanoic acid307-24-4100 % similar
Perfluorododecanoic acid307-55-1100 % similar
Perfluorooctanoic acid335-67-1100 % similar
Perfluorodecanoic acid335-76-2100 % similar
Perfluorononanoic acid375-95-1100 % similar
Perfluorotetradecanoic acid376-06-7100 % similar
Perfluorohexadecanoic acid67905-19-5100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds