N-(difluoromethyl)-N-ethylmethanimidamide

C4H8F2N2 — CID 89233536

IUPACN-(difluoromethyl)-N-ethylmethanimidamide
SMILES[H]/N=C/N(CC)C(F)F
InChIInChI=1S/C4H8F2N2/c1-2-8(3-7)4(5)6/h3-4,7H,2H2,1H3/b7-3+
InChIKeyYIWMCJLYKXCXLO-XVNBXDOJSA-N
MW122.12 g/mol
LogP1.14
Rot. Bonds3

About N-(difluoromethyl)-N-ethylmethanimidamide

N-(difluoromethyl)-N-ethylmethanimidamide (PubChem CID 89233536) has the molecular formula C4H8F2N2 and a molecular weight of 122.12 g/mol. Its IUPAC name is N-(difluoromethyl)-N-ethylmethanimidamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-ethylmethanimidamide
PubChem CID89233536
Molecular FormulaC4H8F2N2
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC NameN-(difluoromethyl)-N-ethylmethanimidamide
SMILES[H]/N=C/N(CC)C(F)F
InChIInChI=1S/C4H8F2N2/c1-2-8(3-7)4(5)6/h3-4,7H,2H2,1H3/b7-3+
InChIKeyYIWMCJLYKXCXLO-XVNBXDOJSA-N
XLogP1.14
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(difluoromethyl)-N-ethylmethanimidamide 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 N-(difluoromethyl)-N-ethylmethanimidamide?
The IUPAC name of N-(difluoromethyl)-N-ethylmethanimidamide (CID 89233536) is N-(difluoromethyl)-N-ethylmethanimidamide.
What is the SMILES notation for N-(difluoromethyl)-N-ethylmethanimidamide?
The canonical SMILES for N-(difluoromethyl)-N-ethylmethanimidamide is [H]/N=C/N(CC)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-ethylmethanimidamide?
The InChIKey is YIWMCJLYKXCXLO-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H8F2N2/c1-2-8(3-7)4(5)6/h3-4,7H,2H2,1H3/b7-3+.
What are the key properties of N-(difluoromethyl)-N-ethylmethanimidamide?
N-(difluoromethyl)-N-ethylmethanimidamide has a molecular weight of 122.12 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-ethylmethanimidamide is sourced from PubChem (CID 89233536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).