(E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene

C6H4F8 — CID 91692342

IUPAC(E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene
SMILESFC(F)C(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c7-4(8)3(6(12,13)14)1-2-5(9,10)11/h1-4H/b2-1+
InChIKeyKOBPPIZVDSNJIB-OWOJBTEDSA-N
MW228.08 g/mol
LogP3.55
Rot. Bonds2

About (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene

(E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene (PubChem CID 91692342) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene.

Molecular Properties

Compound Name(E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene
PubChem CID91692342
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name(E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene
SMILESFC(F)C(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c7-4(8)3(6(12,13)14)1-2-5(9,10)11/h1-4H/b2-1+
InChIKeyKOBPPIZVDSNJIB-OWOJBTEDSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-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)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene?
The IUPAC name of (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene (CID 91692342) is (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene.
What is the SMILES notation for (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene?
The canonical SMILES for (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene is FC(F)C(/C=C/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene?
The InChIKey is KOBPPIZVDSNJIB-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H4F8/c7-4(8)3(6(12,13)14)1-2-5(9,10)11/h1-4H/b2-1+.
What are the key properties of (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene?
(E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene has a molecular weight of 228.08 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(difluoromethyl)-1,1,1,5,5,5-hexafluoropent-2-ene is sourced from PubChem (CID 91692342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).