2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid

C7H2F12O2CAS 1546-95-8346.07 g/mol

Open in Covalent MOL file
OHOFFFFFFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C7H2F12O2
Molar mass
346.07 g/mol
Exact mass
345.9863 Da
Boiling point
192 °C
logP
3.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
1546-95-8
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
JZHDEEOTEUVLHR-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)

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Names and synonyms

7 names
  • Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-
  • ω-Monohydroperfluoroheptanoic acid
  • 7H-Dodecafluoroheptanoic acid
  • ω-Hydroperfluoroenanthic acid
  • ω-Hydroperfluoroheptanoic acid
  • 7H-Perfluoroheptanoic acid
  • Dodecafluroheptylic acid

Work with 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic 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

ω-Hydroperfluoroundecanoic acid1765-48-6100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid76-21-1100 % similar ω-Hydroperfluorovaleric acid376-72-786 % similar Perfluoroazelaic acid23453-64-768 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-868 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-568 % similar Perfluoro-1,10-decanedicarboxylic acid865-85-068 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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