2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene

C4HBrF6 — CID 30192

IUPAC2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=C(Br)C(F)(F)F
InChIInChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H
InChIKeyKSWYRKGFPCBMHX-UHFFFAOYSA-N
MW242.94 g/mol
LogP3.39
Rot. Bonds

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

2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene (PubChem CID 30192) has the molecular formula C4HBrF6 and a molecular weight of 242.94 g/mol. Its IUPAC name is 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
PubChem CID30192
Molecular FormulaC4HBrF6
Molecular Weight242.94 g/mol
Exact Mass241.92
IUPAC Name2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
SMILESFC(F)(F)C=C(Br)C(F)(F)F
InChIInChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H
InChIKeyKSWYRKGFPCBMHX-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.94
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
The IUPAC name of 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene (CID 30192) is 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene.
What is the SMILES notation for 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
The canonical SMILES for 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene is FC(F)(F)C=C(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
The InChIKey is KSWYRKGFPCBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H.
What are the key properties of 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene has a molecular weight of 242.94 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene is sourced from PubChem (CID 30192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).