N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine

C5H5ClFN — CID 123995680

IUPACN-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
SMILESC=C(F)C=NC(=C)Cl
InChIInChI=1S/C5H5ClFN/c1-4(7)3-8-5(2)6/h3H,1-2H2
InChIKeyYHIARMOGDFSKPA-UHFFFAOYSA-N
MW133.55 g/mol
LogP2.25
Rot. Bonds2

About N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine

N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine (PubChem CID 123995680) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
PubChem CID123995680
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC NameN-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
SMILESC=C(F)C=NC(=C)Cl
InChIInChI=1S/C5H5ClFN/c1-4(7)3-8-5(2)6/h3H,1-2H2
InChIKeyYHIARMOGDFSKPA-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.55
LogP ≤ 52.25
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-fluoroprop-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

(E)-2-chloro-3-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 143156556
(Z)-N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine
CID 145189680
(Z)-2-fluoro-N-(1-fluoroethenyl)prop-2-en-1-imine
CID 145347445
N-(1-chloroethenyl)-2-(trifluoromethyl)prop-2-en-1-imine
CID 152897175
N-[(E)-1-chloroprop-1-enyl]-2-fluoroprop-2-en-1-imine
CID 173689696
(Z,Z)-N-(1-chloroethenyl)-3-fluoroprop-2-en-1-imine
CID 144437791
2-chloro-N-ethenylprop-2-en-1-imine
CID 90066641
2-chloro-N-(1-chloroethenyl)prop-2-en-1-imine
CID 91477351

Frequently Asked Questions

What is the IUPAC name of N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine?
The IUPAC name of N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine (CID 123995680) is N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine.
What is the SMILES notation for N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine?
The canonical SMILES for N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine is C=C(F)C=NC(=C)Cl.
What is the InChIKey of N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine?
The InChIKey is YHIARMOGDFSKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c1-4(7)3-8-5(2)6/h3H,1-2H2.
What are the key properties of N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine?
N-(1-chloroethenyl)-2-fluoroprop-2-en-1-imine has a molecular weight of 133.55 g/mol, XLogP of 2.25, 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-fluoroprop-2-en-1-imine is sourced from PubChem (CID 123995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).