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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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).