5,6,7-trifluoro-1H-quinolin-4-one

C9H4F3NO — CID 62813764

IUPAC5,6,7-trifluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(F)c(F)c(F)c12
InChIInChI=1S/C9H4F3NO/c10-4-3-5-7(9(12)8(4)11)6(14)1-2-13-5/h1-3H,(H,13,14)
InChIKeyOWOJZJRBDHKRRW-UHFFFAOYSA-N
MW199.13 g/mol
LogP1.95
Rot. Bonds

About 5,6,7-trifluoro-1H-quinolin-4-one

5,6,7-trifluoro-1H-quinolin-4-one (PubChem CID 62813764) has the molecular formula C9H4F3NO and a molecular weight of 199.13 g/mol. Its IUPAC name is 5,6,7-trifluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name5,6,7-trifluoro-1H-quinolin-4-one
PubChem CID62813764
Molecular FormulaC9H4F3NO
Molecular Weight199.13 g/mol
Exact Mass199.02
IUPAC Name5,6,7-trifluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(F)c(F)c(F)c12
InChIInChI=1S/C9H4F3NO/c10-4-3-5-7(9(12)8(4)11)6(14)1-2-13-5/h1-3H,(H,13,14)
InChIKeyOWOJZJRBDHKRRW-UHFFFAOYSA-N
XLogP1.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-1H-quinolin-4-one?
The IUPAC name of 5,6,7-trifluoro-1H-quinolin-4-one (CID 62813764) is 5,6,7-trifluoro-1H-quinolin-4-one.
What is the SMILES notation for 5,6,7-trifluoro-1H-quinolin-4-one?
The canonical SMILES for 5,6,7-trifluoro-1H-quinolin-4-one is O=c1cc[nH]c2cc(F)c(F)c(F)c12.
What is the InChIKey of 5,6,7-trifluoro-1H-quinolin-4-one?
The InChIKey is OWOJZJRBDHKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO/c10-4-3-5-7(9(12)8(4)11)6(14)1-2-13-5/h1-3H,(H,13,14).
What are the key properties of 5,6,7-trifluoro-1H-quinolin-4-one?
5,6,7-trifluoro-1H-quinolin-4-one has a molecular weight of 199.13 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-1H-quinolin-4-one is sourced from PubChem (CID 62813764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).