N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide

C6H12F2N2 — CID 135233369

IUPACN-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide
SMILESCC/N=C/N(C)CC(F)F
InChIInChI=1S/C6H12F2N2/c1-3-9-5-10(2)4-6(7)8/h5-6H,3-4H2,1-2H3/b9-5+
InChIKeyOAYVFXZVEOOZNY-WEVVVXLNSA-N
MW150.17 g/mol
LogP1.23
Rot. Bonds4

About N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide

N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide (PubChem CID 135233369) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide
PubChem CID135233369
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC NameN-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide
SMILESCC/N=C/N(C)CC(F)F
InChIInChI=1S/C6H12F2N2/c1-3-9-5-10(2)4-6(7)8/h5-6H,3-4H2,1-2H3/b9-5+
InChIKeyOAYVFXZVEOOZNY-WEVVVXLNSA-N
XLogP1.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide 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-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide?
The IUPAC name of N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide (CID 135233369) is N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide is CC/N=C/N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide?
The InChIKey is OAYVFXZVEOOZNY-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-3-9-5-10(2)4-6(7)8/h5-6H,3-4H2,1-2H3/b9-5+.
What are the key properties of N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide?
N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide has a molecular weight of 150.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N'-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 135233369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).