(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene

C6H2F10 — CID 57455069

IUPAC(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)/C=C/C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F10/c7-3(5(11,12)13,6(14,15)16)1-2-4(8,9)10/h1-2H/b2-1+
InChIKeyOPUDNJOIACEIEI-OWOJBTEDSA-N
MW264.06 g/mol
LogP3.94
Rot. Bonds1

About (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene

(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene (PubChem CID 57455069) has the molecular formula C6H2F10 and a molecular weight of 264.06 g/mol. Its IUPAC name is (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
PubChem CID57455069
Molecular FormulaC6H2F10
Molecular Weight264.06 g/mol
Exact Mass264.00
IUPAC Name(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)/C=C/C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F10/c7-3(5(11,12)13,6(14,15)16)1-2-4(8,9)10/h1-2H/b2-1+
InChIKeyOPUDNJOIACEIEI-OWOJBTEDSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-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)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene (CID 57455069) is (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene is FC(F)(F)/C=C/C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The InChIKey is OPUDNJOIACEIEI-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H2F10/c7-3(5(11,12)13,6(14,15)16)1-2-4(8,9)10/h1-2H/b2-1+.
What are the key properties of (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene has a molecular weight of 264.06 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 57455069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).