9-[(4,4,5,5,5-Pentafluoropentyl)thio]-1-nonanol

C₁₄H₂₅F₅OSCAS 511545-94-1336.41 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Sulfide

Properties

Molecular formula: C₁₄H₂₅F₅OS
Molar mass: 336.41 g/mol
Exact mass: 336.1546 Da
Melting point: 40–42 °C
logP: 5.42Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 13

Hazards

Warning

H317 May cause an allergic skin reaction83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

511545-94-1

SMILES

OCCCCCCCCCSCCCC(F)(F)C(F)(F)F

InChIKey

AZSKACXKBRDCBY-UHFFFAOYSA-N

InChI

InChI=1S/C14H25F5OS/c15-13(16,14(17,18)19)9-8-12-21-11-7-5-3-1-2-4-6-10-20/h20H,1-12H2

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Names and synonyms

2 names

1-Nonanol, 9-[(4,4,5,5,5-pentafluoropentyl)thio]-
9-[(4,4,5,5,5-Pentafluoropentyl)sulfanyl]nonan-1-ol

Work with 9-[(4,4,5,5,5-Pentafluoropentyl)thio]-1-nonanol

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

4,4,5,5,5-Pentafluoro-1-pentanol148043-73-664 % similar 3-(Perfluoropropyl)propanol679-02-748 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-847 % similar 3-(Perfluorooctyl)propanol1651-41-846 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-446 % similar 4,4,5,5,5-Pentafluoro-1-pentanethiol148757-88-439 % similar 2-(Perfluorobutyl)ethanol2043-47-237 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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