N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride

C5H6ClF3N2 — CID 139517944

IUPACN'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride
SMILESC=C/N=C(\Cl)N(C)C(F)(F)F
InChIInChI=1S/C5H6ClF3N2/c1-3-10-4(6)11(2)5(7,8)9/h3H,1H2,2H3/b10-4+
InChIKeyFMVDTHBLXMCKJX-ONNFQVAWSA-N
MW186.56 g/mol
LogP2.18
Rot. Bonds1

About N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride

N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride (PubChem CID 139517944) has the molecular formula C5H6ClF3N2 and a molecular weight of 186.56 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride
PubChem CID139517944
Molecular FormulaC5H6ClF3N2
Molecular Weight186.56 g/mol
Exact Mass186.02
IUPAC NameN'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride
SMILESC=C/N=C(\Cl)N(C)C(F)(F)F
InChIInChI=1S/C5H6ClF3N2/c1-3-10-4(6)11(2)5(7,8)9/h3H,1H2,2H3/b10-4+
InChIKeyFMVDTHBLXMCKJX-ONNFQVAWSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.56
LogP ≤ 52.18
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride 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'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride?
The IUPAC name of N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride (CID 139517944) is N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride.
What is the SMILES notation for N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride?
The canonical SMILES for N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride is C=C/N=C(\Cl)N(C)C(F)(F)F.
What is the InChIKey of N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride?
The InChIKey is FMVDTHBLXMCKJX-ONNFQVAWSA-N. The full InChI is InChI=1S/C5H6ClF3N2/c1-3-10-4(6)11(2)5(7,8)9/h3H,1H2,2H3/b10-4+.
What are the key properties of N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride?
N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride has a molecular weight of 186.56 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-(trifluoromethyl)carbamimidoyl chloride is sourced from PubChem (CID 139517944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).