3-fluoro-3H-quinolin-2-one

C9H6FNO — CID 119086068

IUPAC3-fluoro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1F
InChIInChI=1S/C9H6FNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H
InChIKeyKFQKXPNSZFFCKI-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.04
Rot. Bonds

About 3-fluoro-3H-quinolin-2-one

3-fluoro-3H-quinolin-2-one (PubChem CID 119086068) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 3-fluoro-3H-quinolin-2-one.

Molecular Properties

Compound Name3-fluoro-3H-quinolin-2-one
PubChem CID119086068
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name3-fluoro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=CC1F
InChIInChI=1S/C9H6FNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H
InChIKeyKFQKXPNSZFFCKI-UHFFFAOYSA-N
XLogP-0.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3H-quinolin-2-one?
The IUPAC name of 3-fluoro-3H-quinolin-2-one (CID 119086068) is 3-fluoro-3H-quinolin-2-one.
What is the SMILES notation for 3-fluoro-3H-quinolin-2-one?
The canonical SMILES for 3-fluoro-3H-quinolin-2-one is O=C1N=c2ccccc2=CC1F.
What is the InChIKey of 3-fluoro-3H-quinolin-2-one?
The InChIKey is KFQKXPNSZFFCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5,7H.
What are the key properties of 3-fluoro-3H-quinolin-2-one?
3-fluoro-3H-quinolin-2-one has a molecular weight of 163.15 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3H-quinolin-2-one is sourced from PubChem (CID 119086068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).