7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one

C10H5BrF3NO — CID 178188561

IUPAC7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one
SMILESO=C1N=C2C=C(Br)C=CC2C=C1C(F)(F)F
InChIInChI=1S/C10H5BrF3NO/c11-6-2-1-5-3-7(10(12,13)14)9(16)15-8(5)4-6/h1-5H
InChIKeyALOKTUPHERDIPN-UHFFFAOYSA-N
MW292.05 g/mol
LogP2.92
Rot. Bonds

About 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one

7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one (PubChem CID 178188561) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one
PubChem CID178188561
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one
SMILESO=C1N=C2C=C(Br)C=CC2C=C1C(F)(F)F
InChIInChI=1S/C10H5BrF3NO/c11-6-2-1-5-3-7(10(12,13)14)9(16)15-8(5)4-6/h1-5H
InChIKeyALOKTUPHERDIPN-UHFFFAOYSA-N
XLogP2.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one?
The IUPAC name of 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one (CID 178188561) is 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one.
What is the SMILES notation for 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one?
The canonical SMILES for 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one is O=C1N=C2C=C(Br)C=CC2C=C1C(F)(F)F.
What is the InChIKey of 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one?
The InChIKey is ALOKTUPHERDIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-6-2-1-5-3-7(10(12,13)14)9(16)15-8(5)4-6/h1-5H.
What are the key properties of 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one?
7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one has a molecular weight of 292.05 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one is sourced from PubChem (CID 178188561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).