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

C4F8 — CID 2775851

IUPAC(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene
SMILESF/C(=C(/F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKeyWSJULBMCKQTTIG-OWOJBTEDSA-N
MW200.03 g/mol
LogP3.26
Rot. Bonds

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

(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene (PubChem CID 2775851) has the molecular formula C4F8 and a molecular weight of 200.03 g/mol. Its IUPAC name is (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene
PubChem CID2775851
Molecular FormulaC4F8
Molecular Weight200.03 g/mol
Exact Mass199.99
IUPAC Name(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene
SMILESF/C(=C(/F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKeyWSJULBMCKQTTIG-OWOJBTEDSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,3,4,4,4-Octafluorobut-2-ene
CID 9678
1-Propene, 1,1,2,3,3,3-hexafluoro-, dimer
CID 83439
1,1,1,4,4,4-Hexafluoro-2,3-bis(trifluoromethyl)but-2-ene
CID 136193
Hfp tfe
CID 18927062
Perfluoro-2-butene, (Z)-
CID 3034116
(E,E)-Perfluoro-2,4-hexadiene
CID 3036408
Perfluorodimethylallene
CID 12530558
(E)-1,1,1,2,3,4-hexafluorobut-2-ene
CID 22011461
1,2,3-Butatriene, 1,1,4,4-tetrafluoro-
CID 137517
Perfluoro-2,4-hexadiene
CID 145012
1,3-Pentadiene, 1,1,2,3,4,5,5,5-octafluoro-, (E)-
CID 517864
Octafluoro-1,3-pentadiene
CID 5462742

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene?
The IUPAC name of (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene (CID 2775851) is (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene?
The canonical SMILES for (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene is F/C(=C(/F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene?
The InChIKey is WSJULBMCKQTTIG-OWOJBTEDSA-N. The full InChI is InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+.
What are the key properties of (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene?
(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene has a molecular weight of 200.03 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene is sourced from PubChem (CID 2775851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).