3-(fluoroamino)-5-methyl-2-oxohexanamide

C7H13FN2O2 — CID 143315227

IUPAC3-(fluoroamino)-5-methyl-2-oxohexanamide
SMILESCC(C)CC(NF)C(=O)C(N)=O
InChIInChI=1S/C7H13FN2O2/c1-4(2)3-5(10-8)6(11)7(9)12/h4-5,10H,3H2,1-2H3,(H2,9,12)
InChIKeyIRUBCJLZAZYSEU-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.07
Rot. Bonds5

About 3-(fluoroamino)-5-methyl-2-oxohexanamide

3-(fluoroamino)-5-methyl-2-oxohexanamide (PubChem CID 143315227) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-(fluoroamino)-5-methyl-2-oxohexanamide.

Molecular Properties

Compound Name3-(fluoroamino)-5-methyl-2-oxohexanamide
PubChem CID143315227
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name3-(fluoroamino)-5-methyl-2-oxohexanamide
SMILESCC(C)CC(NF)C(=O)C(N)=O
InChIInChI=1S/C7H13FN2O2/c1-4(2)3-5(10-8)6(11)7(9)12/h4-5,10H,3H2,1-2H3,(H2,9,12)
InChIKeyIRUBCJLZAZYSEU-UHFFFAOYSA-N
XLogP-0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 3-(fluoroamino)-5-methyl-2-oxohexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(fluoroamino)-5-methyl-2-oxohexanamide?
The IUPAC name of 3-(fluoroamino)-5-methyl-2-oxohexanamide (CID 143315227) is 3-(fluoroamino)-5-methyl-2-oxohexanamide.
What is the SMILES notation for 3-(fluoroamino)-5-methyl-2-oxohexanamide?
The canonical SMILES for 3-(fluoroamino)-5-methyl-2-oxohexanamide is CC(C)CC(NF)C(=O)C(N)=O.
What is the InChIKey of 3-(fluoroamino)-5-methyl-2-oxohexanamide?
The InChIKey is IRUBCJLZAZYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-4(2)3-5(10-8)6(11)7(9)12/h4-5,10H,3H2,1-2H3,(H2,9,12).
What are the key properties of 3-(fluoroamino)-5-methyl-2-oxohexanamide?
3-(fluoroamino)-5-methyl-2-oxohexanamide has a molecular weight of 176.19 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoroamino)-5-methyl-2-oxohexanamide is sourced from PubChem (CID 143315227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).