2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene

C4HClF6 — CID 9815

IUPAC2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=C(Cl)C(F)(F)F
InChIInChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H
InChIKeyJRENXZBKMHPULY-UHFFFAOYSA-N
MW198.49 g/mol
LogP3.23
Rot. Bonds

About 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene

2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene (PubChem CID 9815) has the molecular formula C4HClF6 and a molecular weight of 198.49 g/mol. Its IUPAC name is 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene
PubChem CID9815
Molecular FormulaC4HClF6
Molecular Weight198.49 g/mol
Exact Mass197.97
IUPAC Name2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=C(Cl)C(F)(F)F
InChIInChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H
InChIKeyJRENXZBKMHPULY-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene?
The IUPAC name of 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene (CID 9815) is 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene.
What is the SMILES notation for 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene?
The canonical SMILES for 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene is FC(F)(F)C=C(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene?
The InChIKey is JRENXZBKMHPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H.
What are the key properties of 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene?
2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene has a molecular weight of 198.49 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene is sourced from PubChem (CID 9815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).