2-Fluoro-2-methylpropan-1-ol

C₄H₉FOCAS 3109-99-792.11 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₉FO
Molar mass: 92.11 g/mol
Exact mass: 92.0637 Da
logP: 0.73Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin46.2% of notifiers
H319 Causes serious eye irritation51.2% of notifiers
H332 Harmful if inhaled46.2% of notifiers

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number

3109-99-7

SMILES

CC(C)(CO)F

InChIKey

VQDNMKWCOYVVJH-UHFFFAOYSA-N

InChI

InChI=1S/C4H9FO/c1-4(2,5)3-6/h6H,3H2,1-2H3

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Names and synonyms

1 names

2-Fluoro-2-methyl-propan-1-ol

Work with 2-Fluoro-2-methylpropan-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

2,2-Difluoro-1-propanol33420-52-950 % similar 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol2927-17-545 % similar Trimethylolethane77-85-044 % similar Neopentyl glycol126-30-742 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-642 % similar 2,2-Difluoropropane-1,3-diol428-63-742 % similar Neopentyl alcohol75-84-342 % similar 2,2,2-Trifluoroethanol75-89-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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