3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene

C4HCl2F5 — CID 87754663

IUPAC3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene
SMILESFC(F)=CC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4HCl2F5/c5-3(9,1-2(7)8)4(6,10)11/h1H
InChIKeyHOOOQUVUZNFYGZ-UHFFFAOYSA-N
MW214.95 g/mol
LogP3.50
Rot. Bonds2

About 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene

3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene (PubChem CID 87754663) has the molecular formula C4HCl2F5 and a molecular weight of 214.95 g/mol. Its IUPAC name is 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene.

Molecular Properties

Compound Name3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene
PubChem CID87754663
Molecular FormulaC4HCl2F5
Molecular Weight214.95 g/mol
Exact Mass213.94
IUPAC Name3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene
SMILESFC(F)=CC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4HCl2F5/c5-3(9,1-2(7)8)4(6,10)11/h1H
InChIKeyHOOOQUVUZNFYGZ-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.95
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene?
The IUPAC name of 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene (CID 87754663) is 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene.
What is the SMILES notation for 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene?
The canonical SMILES for 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene is FC(F)=CC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene?
The InChIKey is HOOOQUVUZNFYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2F5/c5-3(9,1-2(7)8)4(6,10)11/h1H.
What are the key properties of 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene?
3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene has a molecular weight of 214.95 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene is sourced from PubChem (CID 87754663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).