Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-

C₃H₅F₃OCAS 65530-60-1114.07 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₅F₃O
Molar mass: 114.07 g/mol
Exact mass: 114.0292 Da
logP: 0.93Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor23.5% of notifiers
H301 Toxic if swallowed76.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96.1% of notifiers

Aggregated from 51 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, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

65530-60-1

SMILES

OCCC(F)(F)F

InChIKey

HDBGBTNNPRCVND-UHFFFAOYSA-N

InChI

InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2

Weigh it out

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

Work with Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-

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

4,4,4-Trifluoro-1-butanol461-18-767 % similar 2,2,2-Trifluoroethanol75-89-844 % similar 2-(Perfluorobutyl)ethanol2043-47-240 % similar Chlorotrifluoropropane460-35-540 % similar 1,1,1-Trifluoro-3-iodopropane460-37-740 % similar 3,3-Dimethyl-1-butanol624-95-340 % similar 2-(Perfluorohexyl)ethanol647-42-738 % similar (Perfluorooctyl)ethanol678-39-738 % similar

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

Same formula

1,1,1-Trifluoro-2-propanol374-01-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook