1,1,1,2,3,4,4,4-octafluorobut-2-ene

C4F8 — CID 9678

IUPAC1,1,1,2,3,4,4,4-octafluorobut-2-ene
SMILESFC(=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
InChIKeyWSJULBMCKQTTIG-UHFFFAOYSA-N
MW200.03 g/mol
LogP3.26
Rot. Bonds

About 1,1,1,2,3,4,4,4-octafluorobut-2-ene

1,1,1,2,3,4,4,4-octafluorobut-2-ene (PubChem CID 9678) has the molecular formula C4F8 and a molecular weight of 200.03 g/mol. Its IUPAC name is 1,1,1,2,3,4,4,4-octafluorobut-2-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,4,4-octafluorobut-2-ene
PubChem CID9678
Molecular FormulaC4F8
Molecular Weight200.03 g/mol
Exact Mass199.99
IUPAC Name1,1,1,2,3,4,4,4-octafluorobut-2-ene
SMILESFC(=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
InChIKeyWSJULBMCKQTTIG-UHFFFAOYSA-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

Perfluoro-2-butene
CID 2775851
1-Propene, 1,1,2,3,3,3-hexafluoro-, dimer
CID 83439
Hfp tfe
CID 18927062
1,1,1,4,4,4-Hexafluoro-2,3-bis(trifluoromethyl)but-2-ene
CID 136193
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 1,1,1,2,3,4,4,4-octafluorobut-2-ene?
The IUPAC name of 1,1,1,2,3,4,4,4-octafluorobut-2-ene (CID 9678) is 1,1,1,2,3,4,4,4-octafluorobut-2-ene.
What is the SMILES notation for 1,1,1,2,3,4,4,4-octafluorobut-2-ene?
The canonical SMILES for 1,1,1,2,3,4,4,4-octafluorobut-2-ene is FC(=C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,4,4-octafluorobut-2-ene?
The InChIKey is WSJULBMCKQTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12.
What are the key properties of 1,1,1,2,3,4,4,4-octafluorobut-2-ene?
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 1,1,1,2,3,4,4,4-octafluorobut-2-ene is sourced from PubChem (CID 9678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).