2,2-difluoro-3-methylbutanimidamide

C5H10F2N2 — CID 115011296

IUPAC2,2-difluoro-3-methylbutanimidamide
SMILES[H]/N=C(\N)C(F)(F)C(C)C
InChIInChI=1S/C5H10F2N2/c1-3(2)5(6,7)4(8)9/h3H,1-2H3,(H3,8,9)
InChIKeyADGVOKHIEJJZNU-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.21
Rot. Bonds2

About 2,2-difluoro-3-methylbutanimidamide

2,2-difluoro-3-methylbutanimidamide (PubChem CID 115011296) has the molecular formula C5H10F2N2 and a molecular weight of 136.14 g/mol. Its IUPAC name is 2,2-difluoro-3-methylbutanimidamide.

Molecular Properties

Compound Name2,2-difluoro-3-methylbutanimidamide
PubChem CID115011296
Molecular FormulaC5H10F2N2
Molecular Weight136.14 g/mol
Exact Mass136.08
IUPAC Name2,2-difluoro-3-methylbutanimidamide
SMILES[H]/N=C(\N)C(F)(F)C(C)C
InChIInChI=1S/C5H10F2N2/c1-3(2)5(6,7)4(8)9/h3H,1-2H3,(H3,8,9)
InChIKeyADGVOKHIEJJZNU-UHFFFAOYSA-N
XLogP1.21
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-3-methylbutanimidamide 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 2,2-difluoro-3-methylbutanimidamide?
The IUPAC name of 2,2-difluoro-3-methylbutanimidamide (CID 115011296) is 2,2-difluoro-3-methylbutanimidamide.
What is the SMILES notation for 2,2-difluoro-3-methylbutanimidamide?
The canonical SMILES for 2,2-difluoro-3-methylbutanimidamide is [H]/N=C(\N)C(F)(F)C(C)C.
What is the InChIKey of 2,2-difluoro-3-methylbutanimidamide?
The InChIKey is ADGVOKHIEJJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-3(2)5(6,7)4(8)9/h3H,1-2H3,(H3,8,9).
What are the key properties of 2,2-difluoro-3-methylbutanimidamide?
2,2-difluoro-3-methylbutanimidamide has a molecular weight of 136.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylbutanimidamide is sourced from PubChem (CID 115011296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).