Pentafluoroaniline
Properties
- Molecular formula
- C6H2F5N
- Molar mass
- 183.08 g/mol
- Exact mass
- 183.0107 Da
- Melting point
- 35–36 °C
- Boiling point
- 153 °C
- logP
- 1.96Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Identifiers
CAS number
771-60-8SMILES
Nc1c(F)c(F)c(F)c(F)c1FInChIKey
NOXLGCOSAFGMDV-UHFFFAOYSA-NInChI
InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenamine, 2,3,4,5,6-pentafluoro-
- Aniline, 2,3,4,5,6-pentafluoro-
- 2,3,4,5,6-Pentafluorobenzenamine
- 2,3,4,5,6-Pentafluoroaniline
- Pentafluorophenylamine
- Aminopentafluorobenzene
- 1-Amino-2,3,4,5,6-pentafluorobenzene
- NSC 88320
Work with Pentafluoroaniline
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
2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-692 % similar
2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-792 % similar
4,4′-Diaminooctafluorobiphenyl1038-66-073 % similar
2,3,5,6-Tetrafluorobenzenamine700-17-453 % similar
4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-052 % similar
Hexafluorobenzene392-56-350 % similar
2,3,4,6-Tetrafluorobenzenamine363-73-548 % similar
4-Amino-2,3,5,6-tetrafluorobenzamide1548-74-946 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds