2-(4-Fluorophenyl)-2-propanol

C₉H₁₁FOCAS 402-41-5154.18 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₉H₁₁FO
Molar mass: 154.18 g/mol
Exact mass: 154.0794 Da
logP: 2.05Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

402-41-5

SMILES

CC(C)(C1=CC=C(C=C1)F)O

InChIKey

QURXIISLVHJNGB-UHFFFAOYSA-N

InChI

InChI=1S/C9H11FO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3

Weigh it out

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

Work with 2-(4-Fluorophenyl)-2-propanol

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

α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-171 % similar 4,4',4''-Trifluorotrityl alcohol379-57-756 % similar 2-Phenyl-2-propanol617-94-756 % similar 2-(4-Bromophenyl)propan-2-ol2077-19-256 % similar 4-Fluorobenzotrifluoride402-44-846 % similar 1-Fluoro-4-(trichloromethyl)benzene402-42-644 % similar 1,4-Difluorobenzene540-36-343 % similar 4-(4-Fluorophenyl)-4-hydroxypiperidine3888-65-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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