1,1,2,4,4-pentafluorobut-2-ene

C8H6F10 — CID 161312912

IUPAC1,1,2,4,4-pentafluorobut-2-ene
SMILESFC(=CC(F)F)C(F)F.FC(=CC(F)F)C(F)F
InChIInChI=1S/2C4H3F5/c2*5-2(4(8)9)1-3(6)7/h2*1,3-4H
InChIKeyVJCWOQGHNOJOFD-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.74
Rot. Bonds4

About 1,1,2,4,4-pentafluorobut-2-ene

1,1,2,4,4-pentafluorobut-2-ene (PubChem CID 161312912) has the molecular formula C8H6F10 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1,1,2,4,4-pentafluorobut-2-ene.

Molecular Properties

Compound Name1,1,2,4,4-pentafluorobut-2-ene
PubChem CID161312912
Molecular FormulaC8H6F10
Molecular Weight292.12 g/mol
Exact Mass292.03
IUPAC Name1,1,2,4,4-pentafluorobut-2-ene
SMILESFC(=CC(F)F)C(F)F.FC(=CC(F)F)C(F)F
InChIInChI=1S/2C4H3F5/c2*5-2(4(8)9)1-3(6)7/h2*1,3-4H
InChIKeyVJCWOQGHNOJOFD-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4-pentafluorobut-2-ene?
The IUPAC name of 1,1,2,4,4-pentafluorobut-2-ene (CID 161312912) is 1,1,2,4,4-pentafluorobut-2-ene.
What is the SMILES notation for 1,1,2,4,4-pentafluorobut-2-ene?
The canonical SMILES for 1,1,2,4,4-pentafluorobut-2-ene is FC(=CC(F)F)C(F)F.FC(=CC(F)F)C(F)F.
What is the InChIKey of 1,1,2,4,4-pentafluorobut-2-ene?
The InChIKey is VJCWOQGHNOJOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3F5/c2*5-2(4(8)9)1-3(6)7/h2*1,3-4H.
What are the key properties of 1,1,2,4,4-pentafluorobut-2-ene?
1,1,2,4,4-pentafluorobut-2-ene has a molecular weight of 292.12 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4-pentafluorobut-2-ene is sourced from PubChem (CID 161312912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).