(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene

C8H4F12 — CID 121267619

IUPAC(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene
SMILESFC(F)C(/C=C/C(F)(F)F)(C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12/c9-3(10)5(4(11)12,1-2-6(13,14)15)7(16,17)8(18,19)20/h1-4H/b2-1+
InChIKeyMAHDGIJINVQWCH-OWOJBTEDSA-N
MW328.10 g/mol
LogP4.82
Rot. Bonds4

About (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene

(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene (PubChem CID 121267619) has the molecular formula C8H4F12 and a molecular weight of 328.10 g/mol. Its IUPAC name is (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene.

Molecular Properties

Compound Name(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene
PubChem CID121267619
Molecular FormulaC8H4F12
Molecular Weight328.10 g/mol
Exact Mass328.01
IUPAC Name(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene
SMILESFC(F)C(/C=C/C(F)(F)F)(C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12/c9-3(10)5(4(11)12,1-2-6(13,14)15)7(16,17)8(18,19)20/h1-4H/b2-1+
InChIKeyMAHDGIJINVQWCH-OWOJBTEDSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene?
The IUPAC name of (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene (CID 121267619) is (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene.
What is the SMILES notation for (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene?
The canonical SMILES for (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene is FC(F)C(/C=C/C(F)(F)F)(C(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene?
The InChIKey is MAHDGIJINVQWCH-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H4F12/c9-3(10)5(4(11)12,1-2-6(13,14)15)7(16,17)8(18,19)20/h1-4H/b2-1+.
What are the key properties of (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene?
(E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene has a molecular weight of 328.10 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-bis(difluoromethyl)-1,1,1,5,5,6,6,6-octafluorohex-2-ene is sourced from PubChem (CID 121267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).