ω-Hydroperfluorovaleric acid
Properties
- Molecular formula
- C5H2F8O2
- Molar mass
- 246.06 g/mol
- Exact mass
- 245.9927 Da
- Boiling point
- 155–160 °C
- logP
- 2.24Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed83.3% of notifiers
- H314 Causes severe skin burns and eye damage83.3% of notifiers
- H315 Causes skin irritation16.7% of notifiers
- H319 Causes serious eye irritation16.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
376-72-7SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)FInChIKey
VGFKXVSMDOKOJZ-UHFFFAOYSA-NInChI
InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-
- Valeric acid, 2,2,3,3,4,4,5,5-octafluoro-
- 2,2,3,3,4,4,5,5-Octafluoropentanoic acid
- ω-Monohydrooctafluoropentanoic acid
- ω-Hydrooctafluorovaleric acid
- 2,2,3,3,4,4,5,5,-Octafluoropentanoic acid
- 5-H-Octafluoropentanoic acid
- 5H-Octafluoropentanoic acid
Work with ω-Hydroperfluorovaleric 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
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid1546-95-886 % similar
ω-Hydroperfluoroundecanoic acid1765-48-686 % similar
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid76-21-186 % similar
2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-363 % similar
Hexafluoroglutaric acid376-73-863 % similar
Perfluoroazelaic acid23453-64-761 % similar
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-861 % similar
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-561 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.