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

C7H2F12 — CID 131722199

IUPAC1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F12/c8-3(9)2(5(11,12)13)1-4(10,6(14,15)16)7(17,18)19/h1H2
InChIKeyYXRTZFLKZSAHPP-UHFFFAOYSA-N
MW314.07 g/mol
LogP4.92
Rot. Bonds2

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

1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene (PubChem CID 131722199) has the molecular formula C7H2F12 and a molecular weight of 314.07 g/mol. Its IUPAC name is 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene
PubChem CID131722199
Molecular FormulaC7H2F12
Molecular Weight314.07 g/mol
Exact Mass314.00
IUPAC Name1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene
SMILESFC(F)=C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F12/c8-3(9)2(5(11,12)13)1-4(10,6(14,15)16)7(17,18)19/h1H2
InChIKeyYXRTZFLKZSAHPP-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene (CID 131722199) is 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene is FC(F)=C(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene?
The InChIKey is YXRTZFLKZSAHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12/c8-3(9)2(5(11,12)13)1-4(10,6(14,15)16)7(17,18)19/h1H2.
What are the key properties of 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene?
1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene has a molecular weight of 314.07 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 131722199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).