6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one

C10H7BrF3NO — CID 117209531

IUPAC6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Br)c2C(F)(F)F)N1
InChIInChI=1S/C10H7BrF3NO/c11-6-2-3-7-5(1-4-8(16)15-7)9(6)10(12,13)14/h2-3H,1,4H2,(H,15,16)
InChIKeyWUBNBWOJQRPQRK-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.35
Rot. Bonds

About 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one

6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117209531) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID117209531
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(ccc(Br)c2C(F)(F)F)N1
InChIInChI=1S/C10H7BrF3NO/c11-6-2-3-7-5(1-4-8(16)15-7)9(6)10(12,13)14/h2-3H,1,4H2,(H,15,16)
InChIKeyWUBNBWOJQRPQRK-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
8-bromo-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130051331
5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82213230
3-[3-bromo-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 171846052
6-amino-5-chloro-3,4-dihydro-1H-quinolin-2-one
CID 117209542
5-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 10877685
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 126587601
5-bromo-6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 19094714
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
3-methyl-8,9-dihydro-6H-pyrrolo[3,2-f]quinolin-7-one
CID 141467140

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one (CID 117209531) is 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(ccc(Br)c2C(F)(F)F)N1.
What is the InChIKey of 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WUBNBWOJQRPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-6-2-3-7-5(1-4-8(16)15-7)9(6)10(12,13)14/h2-3H,1,4H2,(H,15,16).
What are the key properties of 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 294.07 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).