N-ethyl-1,1-difluoromethanimine

C3H5F2N — CID 23233688

IUPACN-ethyl-1,1-difluoromethanimine
SMILESCCN=C(F)F
InChIInChI=1S/C3H5F2N/c1-2-6-3(4)5/h2H2,1H3
InChIKeyUEJJHESIAFBUAS-UHFFFAOYSA-N
MW93.08 g/mol
LogP1.30
Rot. Bonds1

About N-ethyl-1,1-difluoromethanimine

N-ethyl-1,1-difluoromethanimine (PubChem CID 23233688) has the molecular formula C3H5F2N and a molecular weight of 93.08 g/mol. Its IUPAC name is N-ethyl-1,1-difluoromethanimine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoromethanimine
PubChem CID23233688
Molecular FormulaC3H5F2N
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC NameN-ethyl-1,1-difluoromethanimine
SMILESCCN=C(F)F
InChIInChI=1S/C3H5F2N/c1-2-6-3(4)5/h2H2,1H3
InChIKeyUEJJHESIAFBUAS-UHFFFAOYSA-N
XLogP1.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1,1-difluoromethanimine 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-ethyl-1,1-difluoromethanimine?
The IUPAC name of N-ethyl-1,1-difluoromethanimine (CID 23233688) is N-ethyl-1,1-difluoromethanimine.
What is the SMILES notation for N-ethyl-1,1-difluoromethanimine?
The canonical SMILES for N-ethyl-1,1-difluoromethanimine is CCN=C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoromethanimine?
The InChIKey is UEJJHESIAFBUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N/c1-2-6-3(4)5/h2H2,1H3.
What are the key properties of N-ethyl-1,1-difluoromethanimine?
N-ethyl-1,1-difluoromethanimine has a molecular weight of 93.08 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoromethanimine is sourced from PubChem (CID 23233688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).