N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine

C6H5ClF3N — CID 152897175

IUPACN-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(Cl)N=CC(=C)C(F)(F)F
InChIInChI=1S/C6H5ClF3N/c1-4(6(8,9)10)3-11-5(2)7/h3H,1-2H2
InChIKeyUEPPLDUCOGFBSR-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.89
Rot. Bonds2

About N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine

N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine (PubChem CID 152897175) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine
PubChem CID152897175
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC NameN-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(Cl)N=CC(=C)C(F)(F)F
InChIInChI=1S/C6H5ClF3N/c1-4(6(8,9)10)3-11-5(2)7/h3H,1-2H2
InChIKeyUEPPLDUCOGFBSR-UHFFFAOYSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 123995680
N-ethenyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 124133551
(Z)-N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 145189680

Frequently Asked Questions

What is the IUPAC name of N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine?
The IUPAC name of N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine (CID 152897175) is N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine.
What is the SMILES notation for N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine?
The canonical SMILES for N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine is C=C(Cl)N=CC(=C)C(F)(F)F.
What is the InChIKey of N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine?
The InChIKey is UEPPLDUCOGFBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c1-4(6(8,9)10)3-11-5(2)7/h3H,1-2H2.
What are the key properties of N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine?
N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine has a molecular weight of 183.56 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine is sourced from PubChem (CID 152897175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).