(E)-1,1,1,2,3,4-hexafluorobut-2-ene

C4H2F6 — CID 22011461

IUPAC(E)-1,1,1,2,3,4-hexafluorobut-2-ene
SMILESFC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H2F6/c5-1-2(6)3(7)4(8,9)10/h1H2/b3-2+
InChIKeyJSADPKAWAKXUTE-NSCUHMNNSA-N
MW164.05 g/mol
LogP2.67
Rot. Bonds1

About (E)-1,1,1,2,3,4-hexafluorobut-2-ene

(E)-1,1,1,2,3,4-hexafluorobut-2-ene (PubChem CID 22011461) has the molecular formula C4H2F6 and a molecular weight of 164.05 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4-hexafluorobut-2-ene
PubChem CID22011461
Molecular FormulaC4H2F6
Molecular Weight164.05 g/mol
Exact Mass164.01
IUPAC Name(E)-1,1,1,2,3,4-hexafluorobut-2-ene
SMILESFC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H2F6/c5-1-2(6)3(7)4(8,9)10/h1H2/b3-2+
InChIKeyJSADPKAWAKXUTE-NSCUHMNNSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Perfluoro-2-butene
CID 2775851
1,1,1,2,3,4,4,4-Octafluorobut-2-ene
CID 9678
1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
CID 168318
1,1,1,2,4,4,4-Heptafluoro-2-butene
CID 5708514
1,1,2,3,3-Pentafluoroprop-1-ene
CID 594043
Perfluoro-2-butene, (Z)-
CID 3034116
(E)-1,1,1,3,4,4,4-Heptafluoro-2-butene
CID 6110611
1-Propene, tetrafluoro-
CID 11855995
(E)-1,1,1,2,3-pentafluorobut-2-ene
CID 54160045
Heptafluorobut-2-ene
CID 57166843
1,1-Difluoroethene;1,1,2,3,3-pentafluoroprop-1-ene
CID 87126106

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,4-hexafluorobut-2-ene?
The IUPAC name of (E)-1,1,1,2,3,4-hexafluorobut-2-ene (CID 22011461) is (E)-1,1,1,2,3,4-hexafluorobut-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4-hexafluorobut-2-ene?
The canonical SMILES for (E)-1,1,1,2,3,4-hexafluorobut-2-ene is FC/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4-hexafluorobut-2-ene?
The InChIKey is JSADPKAWAKXUTE-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H2F6/c5-1-2(6)3(7)4(8,9)10/h1H2/b3-2+.
What are the key properties of (E)-1,1,1,2,3,4-hexafluorobut-2-ene?
(E)-1,1,1,2,3,4-hexafluorobut-2-ene has a molecular weight of 164.05 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,4-hexafluorobut-2-ene is sourced from PubChem (CID 22011461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).