4,4,5,5,5-Pentafluoro-1-pentanol

C₅H₇F₅OCAS 148043-73-6178.10 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₇F₅O
Molar mass: 178.10 g/mol
Exact mass: 178.0417 Da
logP: 1.96Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-202-00-2), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

148043-73-6

SMILES

OCCCC(F)(F)C(F)(F)F

InChIKey

QROUUECTKRZFHF-UHFFFAOYSA-N

InChI

InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2

Weigh it out

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

Names and synonyms

3 names

1-Pentanol, 4,4,5,5,5-pentafluoro-
4,4,5,5,5-Pentafluoropentanol
4,4,5,5,5-Pentafluoropentan-1-ol

Work with 4,4,5,5,5-Pentafluoro-1-pentanol

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

3-(Perfluoropropyl)propanol679-02-771 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-868 % similar 3-(Perfluorooctyl)propanol1651-41-865 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-465 % similar 9-[(4,4,5,5,5-Pentafluoropentyl)thio]-1-nonanol511545-94-164 % similar 4,4,4-Trifluoro-1-butanol461-18-752 % similar 4,4,5,5,5-Pentafluoro-1-pentanethiol148757-88-452 % similar 2-(Perfluorobutyl)ethanol2043-47-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook