1H,1H,2H,2H-Perfluoro-7-methyloctan-1-ol

C₉H₅F₁₅OCAS 20015-46-7414.11 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₅F₁₅O
Molar mass: 414.11 g/mol
Exact mass: 414.0101 Da
logP: 4.74Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20015-46-7

SMILES

C(CO)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F

InChIKey

WVZPXINSJOBSTI-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F15O/c10-3(11,1-2-25)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h25H,1-2H2

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

Names and synonyms

1 names

3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octan-1-ol

Work with 1H,1H,2H,2H-Perfluoro-7-methyloctan-1-ol

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

2-(Perfluoro-7-methyloctyl)ethanol31200-98-3100 % similar 3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol89076-11-985 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-774 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-774 % similar 2-(Perfluorodecyl)ethanol865-86-174 % similar 2-(Perfluorobutyl)ethanol2043-47-270 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol83192-87-468 % similar 3-(Perfluorooctyl)propanol1651-41-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane297730-93-9

Elsewhere

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