(E)-2,3-dichloro-1,3-difluoroprop-1-ene

C3H2Cl2F2 — CID 12590902

IUPAC(E)-2,3-dichloro-1,3-difluoroprop-1-ene
SMILESF/C=C(/Cl)C(F)Cl
InChIInChI=1S/C3H2Cl2F2/c4-2(1-6)3(5)7/h1,3H/b2-1+
InChIKeyTVVULVXXPIJELE-OWOJBTEDSA-N
MW146.95 g/mol
LogP2.57
Rot. Bonds1

About (E)-2,3-dichloro-1,3-difluoroprop-1-ene

(E)-2,3-dichloro-1,3-difluoroprop-1-ene (PubChem CID 12590902) has the molecular formula C3H2Cl2F2 and a molecular weight of 146.95 g/mol. Its IUPAC name is (E)-2,3-dichloro-1,3-difluoroprop-1-ene.

Molecular Properties

Compound Name(E)-2,3-dichloro-1,3-difluoroprop-1-ene
PubChem CID12590902
Molecular FormulaC3H2Cl2F2
Molecular Weight146.95 g/mol
Exact Mass145.95
IUPAC Name(E)-2,3-dichloro-1,3-difluoroprop-1-ene
SMILESF/C=C(/Cl)C(F)Cl
InChIInChI=1S/C3H2Cl2F2/c4-2(1-6)3(5)7/h1,3H/b2-1+
InChIKeyTVVULVXXPIJELE-OWOJBTEDSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.95
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-2,3-dichloro-1,3-difluoroprop-1-ene 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 (E)-2,3-dichloro-1,3-difluoroprop-1-ene?
The IUPAC name of (E)-2,3-dichloro-1,3-difluoroprop-1-ene (CID 12590902) is (E)-2,3-dichloro-1,3-difluoroprop-1-ene.
What is the SMILES notation for (E)-2,3-dichloro-1,3-difluoroprop-1-ene?
The canonical SMILES for (E)-2,3-dichloro-1,3-difluoroprop-1-ene is F/C=C(/Cl)C(F)Cl.
What is the InChIKey of (E)-2,3-dichloro-1,3-difluoroprop-1-ene?
The InChIKey is TVVULVXXPIJELE-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H2Cl2F2/c4-2(1-6)3(5)7/h1,3H/b2-1+.
What are the key properties of (E)-2,3-dichloro-1,3-difluoroprop-1-ene?
(E)-2,3-dichloro-1,3-difluoroprop-1-ene has a molecular weight of 146.95 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dichloro-1,3-difluoroprop-1-ene is sourced from PubChem (CID 12590902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).