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

C16H8F5NO — CID 22278976

IUPAC6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3cccc(F)c3F)ccc2[nH]1
InChIInChI=1S/C16H8F5NO/c17-12-3-1-2-9(15(12)18)8-4-5-13-10(6-8)11(16(19,20)21)7-14(23)22-13/h1-7H,(H,22,23)
InChIKeyOAXZXSDIOUYVFZ-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.49
Rot. Bonds1

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

6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22278976) has the molecular formula C16H8F5NO and a molecular weight of 325.24 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22278976
Molecular FormulaC16H8F5NO
Molecular Weight325.24 g/mol
Exact Mass325.05
IUPAC Name6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3cccc(F)c3F)ccc2[nH]1
InChIInChI=1S/C16H8F5NO/c17-12-3-1-2-9(15(12)18)8-4-5-13-10(6-8)11(16(19,20)21)7-14(23)22-13/h1-7H,(H,22,23)
InChIKeyOAXZXSDIOUYVFZ-UHFFFAOYSA-N
XLogP4.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22278976) is 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(-c3cccc(F)c3F)ccc2[nH]1.
What is the InChIKey of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is OAXZXSDIOUYVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F5NO/c17-12-3-1-2-9(15(12)18)8-4-5-13-10(6-8)11(16(19,20)21)7-14(23)22-13/h1-7H,(H,22,23).
What are the key properties of 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 325.24 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22278976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).