(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene

C4HBrF6 — CID 5366001

IUPAC(Z)-2-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/b2-1-
InChIKeyKSWYRKGFPCBMHX-UPHRSURJSA-N
MW242.94 g/mol
LogP3.39
Rot. Bonds

About (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene

(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene (PubChem CID 5366001) has the molecular formula C4HBrF6 and a molecular weight of 242.94 g/mol. Its IUPAC name is (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene.

Molecular Properties

Compound Name(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
PubChem CID5366001
Molecular FormulaC4HBrF6
Molecular Weight242.94 g/mol
Exact Mass241.92
IUPAC Name(Z)-2-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/b2-1-
InChIKeyKSWYRKGFPCBMHX-UPHRSURJSA-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 (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
The IUPAC name of (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene (CID 5366001) is (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene.
What is the SMILES notation for (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
The canonical SMILES for (Z)-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 (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
The InChIKey is KSWYRKGFPCBMHX-UPHRSURJSA-N. The full InChI is InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-.
What are the key properties of (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene?
(Z)-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 (Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene is sourced from PubChem (CID 5366001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).