2H,2H,3H,3H-Perfluorononanoic acid

C₉H₅F₁₃O₂CAS 27854-30-4392.12 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₉H₅F₁₃O₂
Molar mass: 392.12 g/mol
Exact mass: 392.0082 Da
logP: 4.59Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

27854-30-4

SMILES

C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O

InChIKey

AAEJJSZYNKXKSW-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)

Weigh it out

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

Work with 2H,2H,3H,3H-Perfluorononanoic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid34598-33-9100 % similar 4,4,5,5,6,6,6-Heptafluorohexanoic acid356-02-586 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-752 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-752 % similar 2-(Perfluorodecyl)ethanol865-86-152 % similar 4,4,4-Trifluorobutanoic acid406-93-950 % similar 1H,1H,2H,2H-Perfluorooctanesulfonic acid27619-97-249 % similar 3-(Perfluorooctyl)propanol1651-41-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-0

Elsewhere

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