2-fluoro-5-methyl-3-oxohexanamide

C7H12FNO2 — CID 174880296

IUPAC2-fluoro-5-methyl-3-oxohexanamide
SMILESCC(C)CC(=O)C(F)C(N)=O
InChIInChI=1S/C7H12FNO2/c1-4(2)3-5(10)6(8)7(9)11/h4,6H,3H2,1-2H3,(H2,9,11)
InChIKeyZAJQSECSXMSQQS-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.43
Rot. Bonds4

About 2-fluoro-5-methyl-3-oxohexanamide

2-fluoro-5-methyl-3-oxohexanamide (PubChem CID 174880296) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-oxohexanamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-oxohexanamide
PubChem CID174880296
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-fluoro-5-methyl-3-oxohexanamide
SMILESCC(C)CC(=O)C(F)C(N)=O
InChIInChI=1S/C7H12FNO2/c1-4(2)3-5(10)6(8)7(9)11/h4,6H,3H2,1-2H3,(H2,9,11)
InChIKeyZAJQSECSXMSQQS-UHFFFAOYSA-N
XLogP0.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-fluoro-5-methyl-3-oxohexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylbutanamide
CID 87933309
(2S)-2-fluoropropanamide
CID 129374964
5-methyl-3-oxohexanamide
CID 140847068
ethane-1,2-diol;2-fluoropropanamide
CID 175562566
1,1-dichloro-4-methylpentan-2-one
CID 5323818
2-amino-1-hydroxy-5-methylhexan-3-one
CID 116920589
2,5-dimethylheptan-4-one
CID 12580686
2,4,7-trimethyloctane-3,5-dione
CID 559050
hydrazine;3-methylbutanoic acid
CID 175217584
2,2-difluoroacetamide
CID 2782321
methyl 5-methyl-3-oxo-2-sulfanylhexanoate
CID 88782619
2-hydroxybutyl 3-methylbutanoate
CID 23057192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-oxohexanamide?
The IUPAC name of 2-fluoro-5-methyl-3-oxohexanamide (CID 174880296) is 2-fluoro-5-methyl-3-oxohexanamide.
What is the SMILES notation for 2-fluoro-5-methyl-3-oxohexanamide?
The canonical SMILES for 2-fluoro-5-methyl-3-oxohexanamide is CC(C)CC(=O)C(F)C(N)=O.
What is the InChIKey of 2-fluoro-5-methyl-3-oxohexanamide?
The InChIKey is ZAJQSECSXMSQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-4(2)3-5(10)6(8)7(9)11/h4,6H,3H2,1-2H3,(H2,9,11).
What are the key properties of 2-fluoro-5-methyl-3-oxohexanamide?
2-fluoro-5-methyl-3-oxohexanamide has a molecular weight of 161.18 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-3-oxohexanamide is sourced from PubChem (CID 174880296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).