Flurochloridone

C₁₂H₁₀Cl₂F₃NOCAS 61213-25-0312.11 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₁₂H₁₀Cl₂F₃NO
Molar mass: 312.11 g/mol
Exact mass: 311.0092 Da
Melting point: 55.6–79.7 °C
Boiling point: 212.5 °C
logP: 3.51Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H360FD May damage fertility; May damage the unborn childReproductive toxicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-334-00-2), via PubChem.

Precautionary statements

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

61213-25-0

SMILES

O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1

InChIKey

OQZCSNDVOWYALR-UHFFFAOYSA-N

InChI

InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2

Weigh it out

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

Names and synonyms

9 names

2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-
3-Chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
R 40244
Racer
Fluorochloridone
Racer 25
Rainbow
Twin gold pack
Racer 250 EC

Work with Flurochloridone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3-(Trifluoromethyl)phenyl)-1H-pyrrole-2,5-dione53629-19-944 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-939 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-238 % similar 3,3'-Bis(trifluoromethyl)benzophenone1868-00-438 % similar 3-(Trifluoromethyl)benzyl chloride705-29-338 % similar TFMPP hydrochloride16015-69-337 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-436 % similar 3'-(Trifluoromethyl)propiophenone1533-03-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook