2,3-dibromo-1,1,2,3,4,4-hexafluorobutane

C4H2Br2F6 — CID 171780319

IUPAC2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
SMILESFC(F)C(F)(Br)C(F)(Br)C(F)F
InChIInChI=1S/C4H2Br2F6/c5-3(11,1(7)8)4(6,12)2(9)10/h1-2H
InChIKeyOZFQFORLJWAXOZ-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.64
Rot. Bonds3

About 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane

2,3-dibromo-1,1,2,3,4,4-hexafluorobutane (PubChem CID 171780319) has the molecular formula C4H2Br2F6 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane.

Molecular Properties

Compound Name2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
PubChem CID171780319
Molecular FormulaC4H2Br2F6
Molecular Weight323.86 g/mol
Exact Mass321.84
IUPAC Name2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
SMILESFC(F)C(F)(Br)C(F)(Br)C(F)F
InChIInChI=1S/C4H2Br2F6/c5-3(11,1(7)8)4(6,12)2(9)10/h1-2H
InChIKeyOZFQFORLJWAXOZ-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,1-difluoro-2-methylpropane
CID 139401194
(1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
CID 51439994
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,1,1,3,3-pentafluoro-2,2-diiodopropane
CID 175825482
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
2,2,3,3-tetrafluoropropane-1-thiol
CID 57236549
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
1,3-dibromo-1,1,3-trifluoropropane
CID 45075709
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane?
The IUPAC name of 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane (CID 171780319) is 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane.
What is the SMILES notation for 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane?
The canonical SMILES for 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane is FC(F)C(F)(Br)C(F)(Br)C(F)F.
What is the InChIKey of 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane?
The InChIKey is OZFQFORLJWAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2F6/c5-3(11,1(7)8)4(6,12)2(9)10/h1-2H.
What are the key properties of 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane?
2,3-dibromo-1,1,2,3,4,4-hexafluorobutane has a molecular weight of 323.86 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,1,2,3,4,4-hexafluorobutane is sourced from PubChem (CID 171780319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).