3-(Trifluoromethyl)benzenepropanol

C₁₀H₁₁F₃OCAS 78573-45-2204.19 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₀H₁₁F₃O
Molar mass: 204.19 g/mol
Exact mass: 204.0762 Da
logP: 2.63Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 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

78573-45-2

SMILES

OCCCc1cccc(C(F)(F)F)c1

InChIKey

QWXKQVIMGVVIBX-UHFFFAOYSA-N

InChI

InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2

Weigh it out

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

Names and synonyms

4 names

Benzenepropanol, 3-(trifluoromethyl)-
3-[3-(Trifluoromethyl)phenyl]propan-1-ol
3-(3′-Trifluoromethylphenyl)propan-1-ol
3-[3-(Trifluoromethyl)phenyl]propanol

Work with 3-(Trifluoromethyl)benzenepropanol

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

3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-465 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-764 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-060 % similar 3-(Trifluoromethyl)benzenepropanal21172-41-855 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-255 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-654 % similar 3-(Trifluoromethyl)benzylamine2740-83-254 % similar 3-(Trifluoromethyl)benzyl bromide402-23-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-((3-Trifluoromethyl)phenyl)propanol-1618-97-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook