6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one

C10H5F4NO — CID 78177548

IUPAC6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one
SMILESO=C1C=C(C(F)(F)F)N=C2C=CC(F)C=C12
InChIInChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-5H
InChIKeyYKHCXOIYFGCJBL-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.29
Rot. Bonds

About 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one

6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one (PubChem CID 78177548) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one
PubChem CID78177548
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one
SMILESO=C1C=C(C(F)(F)F)N=C2C=CC(F)C=C12
InChIInChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-5H
InChIKeyYKHCXOIYFGCJBL-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one (CID 78177548) is 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one is O=C1C=C(C(F)(F)F)N=C2C=CC(F)C=C12.
What is the InChIKey of 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one?
The InChIKey is YKHCXOIYFGCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-5H.
What are the key properties of 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one?
6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one has a molecular weight of 231.15 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(trifluoromethyl)-6H-quinolin-4-one is sourced from PubChem (CID 78177548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).