1,1,1-Trifluoro-2-phenyl-3-butyn-2-ol

C₁₀H₇F₃OCAS 99727-20-5200.16 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Alkyne

Properties

Molecular formula: C₁₀H₇F₃O
Molar mass: 200.16 g/mol
Exact mass: 200.0449 Da
logP: 2.07Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

99727-20-5

SMILES

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

InChIKey

WWIJKFJKIOQDKI-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F3O/c1-2-9(14,10(11,12)13)8-6-4-3-5-7-8/h1,3-7,14H

Weigh it out

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

Work with 1,1,1-Trifluoro-2-phenyl-3-butyn-2-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

Diphenylethynylcarbinol3923-52-252 % similar 2-Phenyl-3-butyn-2-ol127-66-248 % similar α,α-Bis(trifluoromethyl)benzenemethanol718-64-948 % similar (1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene16878-50-539 % similar 1,1,4,4-Tetraphenyl-2-butyne-1,4-diol1483-74-538 % similar Benzopinacol464-72-237 % similar Triphenylmethanol76-84-637 % similar Trifluorotoluene98-08-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)-1-indanone68755-42-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook