CAS 835903-14-5 6-(Trifluoromethyl)quinolin-2(1H)-one (HCID 33746266)

Substructure search Find similar structures

Basic information

CAS: 835903-14-5
Standard SMILES: O=c1ccc2cc(C(F)(F)F)ccc2[nH]1
InChIKey: CPOPNSYBDVMTGJ-UHFFFAOYSA-N
Molecular formula: C10H6F3NO
Average molar mass: 213.16 g/mol
Monoisotopic mass: 213.0401483

Names & identifiers

Preferred name: 6-(Trifluoromethyl)quinolin-2(1H)-one
IUPAC: 6-(trifluoromethyl)-1H-quinolin-2-one
English name: 6-(Trifluoromethyl)quinolin-2(1H)-one
Molecular formula: C10H6F3NO
Molecular weight: 213.16

Names & synonyms

835903-14-56-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE6-(TRIFLUOROMETHYL)-1H-QUINOLIN-2-ONE2(1H)-Quinolinone,6-(trifluoromethyl)-6-(TRIFLUOROMETHYL)QUINOLIN-2-OLMFCD090380866-(trifluoromethyl)-1,2-dihydroquinolin-2-one6-(Trifluoromethyl)-2(1H)-quinolinone2(1H)-Quinolinone, 6-(trifluoromethyl)-SCHEMBL3777284CHEMBL4547753SCHEMBL27838987

Show more names

6-(trifluoromethyl)-2(1H)-quinolineone

SCHEMBL29456298DTXSID00652866WLZ3180HS-3567SB696586-(Trifluoromethyl)quinoline-2(1H)-oneDB-296387CS-0201530

Database identifiers

CAS: 835903-14-5
PubChem CID: 33746266
DTXSID: DTXSID00652866
ChEMBL: CHEMBL4547753

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 298

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501