1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene

C6H4F8 — CID 145001257

IUPAC1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c7-4(8)3(6(12,13)14)1-2-5(9,10)11/h1-2H2
InChIKeyPPNPLJPSBVIMNF-UHFFFAOYSA-N
MW228.08 g/mol
LogP4.04
Rot. Bonds2

About 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene

1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene (PubChem CID 145001257) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
PubChem CID145001257
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c7-4(8)3(6(12,13)14)1-2-5(9,10)11/h1-2H2
InChIKeyPPNPLJPSBVIMNF-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene (CID 145001257) is 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene is FC(F)=C(CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The InChIKey is PPNPLJPSBVIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c7-4(8)3(6(12,13)14)1-2-5(9,10)11/h1-2H2.
What are the key properties of 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene has a molecular weight of 228.08 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 145001257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).