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

C6H3F9 — CID 15311655

IUPAC(E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)/C=C/C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h1-3H/b2-1+
InChIKeyPXINDCPNVPPLOD-OWOJBTEDSA-N
MW246.07 g/mol
LogP3.85
Rot. Bonds1

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

(E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene (PubChem CID 15311655) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene
PubChem CID15311655
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)/C=C/C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h1-3H/b2-1+
InChIKeyPXINDCPNVPPLOD-OWOJBTEDSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-1,1,1,5,5,5-hexafluoro-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)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene (CID 15311655) is (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene is FC(F)(F)/C=C/C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
The InChIKey is PXINDCPNVPPLOD-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H3F9/c7-4(8,9)2-1-3(5(10,11)12)6(13,14)15/h1-3H/b2-1+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene?
(E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene has a molecular weight of 246.07 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 15311655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).