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

C10H7BrF3NO — CID 11426389

IUPAC6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(C(F)(F)F)Nc2ccc(Br)cc21
InChIInChI=1S/C10H7BrF3NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-3,9,15H,4H2
InChIKeyPTAOFUOZJOENMP-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.38
Rot. Bonds

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

6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 11426389) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID11426389
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(C(F)(F)F)Nc2ccc(Br)cc21
InChIInChI=1S/C10H7BrF3NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-3,9,15H,4H2
InChIKeyPTAOFUOZJOENMP-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one (CID 11426389) is 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CC(C(F)(F)F)Nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is PTAOFUOZJOENMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-3,9,15H,4H2.
What are the key properties of 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 294.07 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 11426389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).