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

C8F16 — CID 173307973

IUPAC1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
SMILESFC(=C(F)C(F)(F)F)C(F)(F)F.FC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C4F8/c5-1(2(6)7)3(8,9)4(10,11)12;5-1(3(7,8)9)2(6)4(10,11)12
InChIKeyZQOPDIJWJZVOGC-UHFFFAOYSA-N
MW400.06 g/mol
LogP6.52
Rot. Bonds1

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

1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene (PubChem CID 173307973) has the molecular formula C8F16 and a molecular weight of 400.06 g/mol. Its IUPAC name is 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene.

Molecular Properties

Compound Name1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
PubChem CID173307973
Molecular FormulaC8F16
Molecular Weight400.06 g/mol
Exact Mass399.97
IUPAC Name1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
SMILESFC(=C(F)C(F)(F)F)C(F)(F)F.FC(F)=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C4F8/c5-1(2(6)7)3(8,9)4(10,11)12;5-1(3(7,8)9)2(6)4(10,11)12
InChIKeyZQOPDIJWJZVOGC-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.06
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
2,3,3,4,4,4-hexafluorobutane-1,1,1,2-tetracarboxylic acid;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 175365907
1,1,1,2,3,3,4,5,5-nonafluoropent-4-en-2-yl hypofluorite
CID 131973025
1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
CID 91153512
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305
(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene
CID 159475239
1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-(trifluoromethyl)hex-2-ene
CID 71362192

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene?
The IUPAC name of 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene (CID 173307973) is 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene.
What is the SMILES notation for 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene?
The canonical SMILES for 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene is FC(=C(F)C(F)(F)F)C(F)(F)F.FC(F)=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene?
The InChIKey is ZQOPDIJWJZVOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4F8/c5-1(2(6)7)3(8,9)4(10,11)12;5-1(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;1,1,2,3,3,4,4,4-octafluorobut-1-ene?
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene has a molecular weight of 400.06 g/mol, XLogP of 6.52, 1 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;1,1,2,3,3,4,4,4-octafluorobut-1-ene is sourced from PubChem (CID 173307973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).