7-fluoro-4aH-quinolin-4-one

C9H6FNO — CID 76538925

IUPAC7-fluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(F)C=CC12
InChIInChI=1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5,7H
InChIKeyYFFYJIJKFYQNJP-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.56
Rot. Bonds

About 7-fluoro-4aH-quinolin-4-one

7-fluoro-4aH-quinolin-4-one (PubChem CID 76538925) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 7-fluoro-4aH-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-4aH-quinolin-4-one
PubChem CID76538925
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name7-fluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(F)C=CC12
InChIInChI=1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5,7H
InChIKeyYFFYJIJKFYQNJP-UHFFFAOYSA-N
XLogP1.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4aH-quinolin-4-one
CID 45074595
2-(trifluoromethyl)-4aH-quinolin-4-one
CID 71302372
6-chloro-7-fluoro-4aH-quinolin-4-one
CID 71303946
6-fluoro-7-methyl-4aH-quinolin-4-one
CID 71303961
7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304086
8-fluoro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304096
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
7-chloro-6-fluoro-4aH-quinolin-4-one
CID 72740927
7-fluoro-2-propyl-4aH-quinolin-4-one
CID 74662016
5,7-difluoro-4aH-quinolin-4-one
CID 74878717
6-fluoro-6H-quinolin-4-one
CID 76538849

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4aH-quinolin-4-one?
The IUPAC name of 7-fluoro-4aH-quinolin-4-one (CID 76538925) is 7-fluoro-4aH-quinolin-4-one.
What is the SMILES notation for 7-fluoro-4aH-quinolin-4-one?
The canonical SMILES for 7-fluoro-4aH-quinolin-4-one is O=C1C=CN=C2C=C(F)C=CC12.
What is the InChIKey of 7-fluoro-4aH-quinolin-4-one?
The InChIKey is YFFYJIJKFYQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5,7H.
What are the key properties of 7-fluoro-4aH-quinolin-4-one?
7-fluoro-4aH-quinolin-4-one has a molecular weight of 163.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4aH-quinolin-4-one is sourced from PubChem (CID 76538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).