6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one

C11H7ClF3NO2 — CID 54697738

IUPAC6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one
SMILESO=c1cc(O)c2cc(Cl)ccc2n1CC(F)(F)F
InChIInChI=1S/C11H7ClF3NO2/c12-6-1-2-8-7(3-6)9(17)4-10(18)16(8)5-11(13,14)15/h1-4,17H,5H2
InChIKeyRMROFOSVXYTMLE-UHFFFAOYSA-N
MW277.63 g/mol
LogP2.92
Rot. Bonds1

About 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one

6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one (PubChem CID 54697738) has the molecular formula C11H7ClF3NO2 and a molecular weight of 277.63 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one
PubChem CID54697738
Molecular FormulaC11H7ClF3NO2
Molecular Weight277.63 g/mol
Exact Mass277.01
IUPAC Name6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one
SMILESO=c1cc(O)c2cc(Cl)ccc2n1CC(F)(F)F
InChIInChI=1S/C11H7ClF3NO2/c12-6-1-2-8-7(3-6)9(17)4-10(18)16(8)5-11(13,14)15/h1-4,17H,5H2
InChIKeyRMROFOSVXYTMLE-UHFFFAOYSA-N
XLogP2.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one (CID 54697738) is 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one is O=c1cc(O)c2cc(Cl)ccc2n1CC(F)(F)F.
What is the InChIKey of 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one?
The InChIKey is RMROFOSVXYTMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO2/c12-6-1-2-8-7(3-6)9(17)4-10(18)16(8)5-11(13,14)15/h1-4,17H,5H2.
What are the key properties of 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one?
6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one has a molecular weight of 277.63 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-1-(2,2,2-trifluoroethyl)quinolin-2-one is sourced from PubChem (CID 54697738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).