N'-(2,2-difluoro-3-oxobutyl)ethanimidamide

C6H10F2N2O — CID 123948626

IUPACN'-(2,2-difluoro-3-oxobutyl)ethanimidamide
SMILESCC(=O)C(F)(F)C/N=C(\C)N
InChIInChI=1S/C6H10F2N2O/c1-4(11)6(7,8)3-10-5(2)9/h3H2,1-2H3,(H2,9,10)
InChIKeySVBCPTXXCDUZLD-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.59
Rot. Bonds3

About N'-(2,2-difluoro-3-oxobutyl)ethanimidamide

N'-(2,2-difluoro-3-oxobutyl)ethanimidamide (PubChem CID 123948626) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is N'-(2,2-difluoro-3-oxobutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,2-difluoro-3-oxobutyl)ethanimidamide
PubChem CID123948626
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC NameN'-(2,2-difluoro-3-oxobutyl)ethanimidamide
SMILESCC(=O)C(F)(F)C/N=C(\C)N
InChIInChI=1S/C6H10F2N2O/c1-4(11)6(7,8)3-10-5(2)9/h3H2,1-2H3,(H2,9,10)
InChIKeySVBCPTXXCDUZLD-UHFFFAOYSA-N
XLogP0.59
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(2,2-difluoro-3-oxobutyl)ethanimidamide 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

4,4,4-trifluoro-N'-methyl-3-oxobutanimidamide
CID 57210956
N'-methyl-3-oxobutanimidamide
CID 45085044
N'-(2-oxobutyl)ethanimidamide
CID 88981113
N'-ethyl-3-oxobutanimidamide
CID 130383169

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
The IUPAC name of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide (CID 123948626) is N'-(2,2-difluoro-3-oxobutyl)ethanimidamide.
What is the SMILES notation for N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
The canonical SMILES for N'-(2,2-difluoro-3-oxobutyl)ethanimidamide is CC(=O)C(F)(F)C/N=C(\C)N.
What is the InChIKey of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
The InChIKey is SVBCPTXXCDUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-4(11)6(7,8)3-10-5(2)9/h3H2,1-2H3,(H2,9,10).
What are the key properties of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
N'-(2,2-difluoro-3-oxobutyl)ethanimidamide has a molecular weight of 164.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoro-3-oxobutyl)ethanimidamide is sourced from PubChem (CID 123948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).