5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one

C11H7F6NO — CID 82213230

IUPAC5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cc(C(F)(F)F)cc2C(F)(F)F)N1
InChIInChI=1S/C11H7F6NO/c12-10(13,14)5-3-7(11(15,16)17)6-1-2-9(19)18-8(6)4-5/h3-4H,1-2H2,(H,18,19)
InChIKeyAYWWKIPKFKPVAM-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.61
Rot. Bonds

About 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one

5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82213230) has the molecular formula C11H7F6NO and a molecular weight of 283.17 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82213230
Molecular FormulaC11H7F6NO
Molecular Weight283.17 g/mol
Exact Mass283.04
IUPAC Name5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cc(C(F)(F)F)cc2C(F)(F)F)N1
InChIInChI=1S/C11H7F6NO/c12-10(13,14)5-3-7(11(15,16)17)6-1-2-9(19)18-8(6)4-5/h3-4H,1-2H2,(H,18,19)
InChIKeyAYWWKIPKFKPVAM-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis(trifluoromethyl)-1,3-dihydroindol-2-one
CID 53404079
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one
CID 121235774
5-amino-7-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 6425616
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117209531
6-bromo-5,7-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 176884703
5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82213232
7-(aminomethyl)-5-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 145472330
7-iodo-1,3,4,6-tetrahydro-1,6-naphthyridine-2,5-dione
CID 169149189
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
5-hydroxy-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 155040320
5-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098556

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one (CID 82213230) is 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cc(C(F)(F)F)cc2C(F)(F)F)N1.
What is the InChIKey of 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AYWWKIPKFKPVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO/c12-10(13,14)5-3-7(11(15,16)17)6-1-2-9(19)18-8(6)4-5/h3-4H,1-2H2,(H,18,19).
What are the key properties of 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 283.17 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82213230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).