3-fluoro-4aH-quinoxalin-2-one

C8H5FN2O — CID 76851270

IUPAC3-fluoro-4aH-quinoxalin-2-one
SMILESO=C1N=C2C=CC=CC2N=C1F
InChIInChI=1S/C8H5FN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-5H
InChIKeyUFDBMPCGJOKLTC-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.83
Rot. Bonds

About 3-fluoro-4aH-quinoxalin-2-one

3-fluoro-4aH-quinoxalin-2-one (PubChem CID 76851270) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 3-fluoro-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name3-fluoro-4aH-quinoxalin-2-one
PubChem CID76851270
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name3-fluoro-4aH-quinoxalin-2-one
SMILESO=C1N=C2C=CC=CC2N=C1F
InChIInChI=1S/C8H5FN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-5H
InChIKeyUFDBMPCGJOKLTC-UHFFFAOYSA-N
XLogP0.83
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(trifluoromethyl)-3H-quinoxalin-2-one
CID 119057457
3-Oxochinoxalin
CID 57169914
3-fluoro-3H-quinolin-2-one
CID 119086068
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
6-fluoro-3H-quinoxalin-2-one
CID 71773273
7-fluoro-4aH-quinoxalin-2-one
CID 73825725
7-fluoro-8-methyl-4aH-quinoxalin-2-one
CID 75094955
7-fluoro-4aH-1,5-naphthyridin-2-one
CID 75247395
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
5-fluoro-4aH-quinoxalin-2-one
CID 76851473
8-fluoro-4aH-quinoxalin-2-one
CID 76851632
7,8-difluoro-4aH-quinoxalin-2-one
CID 77232676

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4aH-quinoxalin-2-one?
The IUPAC name of 3-fluoro-4aH-quinoxalin-2-one (CID 76851270) is 3-fluoro-4aH-quinoxalin-2-one.
What is the SMILES notation for 3-fluoro-4aH-quinoxalin-2-one?
The canonical SMILES for 3-fluoro-4aH-quinoxalin-2-one is O=C1N=C2C=CC=CC2N=C1F.
What is the InChIKey of 3-fluoro-4aH-quinoxalin-2-one?
The InChIKey is UFDBMPCGJOKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-5H.
What are the key properties of 3-fluoro-4aH-quinoxalin-2-one?
3-fluoro-4aH-quinoxalin-2-one has a molecular weight of 164.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4aH-quinoxalin-2-one is sourced from PubChem (CID 76851270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).