1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene

C6H4F8 — CID 15489697

IUPAC1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCC(F)(F)C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c1-4(7,8)2-3(5(9,10)11)6(12,13)14/h2H,1H3
InChIKeyJBKYCTFEBKECDW-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.69
Rot. Bonds1

About 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene (PubChem CID 15489697) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene
PubChem CID15489697
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene
SMILESCC(F)(F)C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c1-4(7,8)2-3(5(9,10)11)6(12,13)14/h2H,1H3
InChIKeyJBKYCTFEBKECDW-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene (CID 15489697) is 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene is CC(F)(F)C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene?
The InChIKey is JBKYCTFEBKECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c1-4(7,8)2-3(5(9,10)11)6(12,13)14/h2H,1H3.
What are the key properties of 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene has a molecular weight of 228.08 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4-pentafluoro-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 15489697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).