3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one

C10H5ClF3NO — CID 146035766

IUPAC3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2cc1Cl
InChIInChI=1S/C10H5ClF3NO/c11-7-4-5-3-6(10(12,13)14)1-2-8(5)15-9(7)16/h1-4H,(H,15,16)
InChIKeyMNEHABFCRNEDAG-UHFFFAOYSA-N
MW247.60 g/mol
LogP3.20
Rot. Bonds

About 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one

3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 146035766) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID146035766
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2cc1Cl
InChIInChI=1S/C10H5ClF3NO/c11-7-4-5-3-6(10(12,13)14)1-2-8(5)15-9(7)16/h1-4H,(H,15,16)
InChIKeyMNEHABFCRNEDAG-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 122377198
2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 123788014
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
CID 91900847
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
[5-(trifluoromethyl)-1H-indol-2-yl]methyl propanoate
CID 174546520
1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 151888747
2-(chloromethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 156870440
3-amino-4-ethenyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 90950544

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one (CID 146035766) is 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2cc1Cl.
What is the InChIKey of 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is MNEHABFCRNEDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-7-4-5-3-6(10(12,13)14)1-2-8(5)15-9(7)16/h1-4H,(H,15,16).
What are the key properties of 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one?
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 247.60 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 146035766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).