3-fluoroazepin-4-one

C6H4FNO — CID 69032704

IUPAC3-fluoroazepin-4-one
SMILESO=c1cccncc1F
InChIInChI=1S/C6H4FNO/c7-5-4-8-3-1-2-6(5)9/h1-4H
InChIKeyKJJUSXCSPWIHPY-UHFFFAOYSA-N
MW125.10 g/mol
LogP0.58
Rot. Bonds

About 3-fluoroazepin-4-one

3-fluoroazepin-4-one (PubChem CID 69032704) has the molecular formula C6H4FNO and a molecular weight of 125.10 g/mol. Its IUPAC name is 3-fluoroazepin-4-one.

Molecular Properties

Compound Name3-fluoroazepin-4-one
PubChem CID69032704
Molecular FormulaC6H4FNO
Molecular Weight125.10 g/mol
Exact Mass125.03
IUPAC Name3-fluoroazepin-4-one
SMILESO=c1cccncc1F
InChIInChI=1S/C6H4FNO/c7-5-4-8-3-1-2-6(5)9/h1-4H
InChIKeyKJJUSXCSPWIHPY-UHFFFAOYSA-N
XLogP0.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(18F)fluoropyridine
CID 24871782
(3-fluoro-4-pyridinyl)stannane
CID 87473673
N-fluoropyridin-3-amine
CID 141274626
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
pyridine-3-carbaldehyde;hydrate;hydrochloride
CID 87987230
hydrazine;pyridine-3-carbaldehyde
CID 174684947
3-[5-(3,5-difluoro-4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]pyridine
CID 22745487
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275

Frequently Asked Questions

What is the IUPAC name of 3-fluoroazepin-4-one?
The IUPAC name of 3-fluoroazepin-4-one (CID 69032704) is 3-fluoroazepin-4-one.
What is the SMILES notation for 3-fluoroazepin-4-one?
The canonical SMILES for 3-fluoroazepin-4-one is O=c1cccncc1F.
What is the InChIKey of 3-fluoroazepin-4-one?
The InChIKey is KJJUSXCSPWIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO/c7-5-4-8-3-1-2-6(5)9/h1-4H.
What are the key properties of 3-fluoroazepin-4-one?
3-fluoroazepin-4-one has a molecular weight of 125.10 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroazepin-4-one is sourced from PubChem (CID 69032704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).