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

C4H2Br2F6 — CID 2736774

IUPAC2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)(F)C(Br)C(Br)C(F)(F)F
InChIInChI=1S/C4H2Br2F6/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H
InChIKeyCLDAABVXWZWULA-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.64
Rot. Bonds1

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

2,3-dibromo-1,1,1,4,4,4-hexafluorobutane (PubChem CID 2736774) has the molecular formula C4H2Br2F6 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane.

Molecular Properties

Compound Name2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
PubChem CID2736774
Molecular FormulaC4H2Br2F6
Molecular Weight323.86 g/mol
Exact Mass321.84
IUPAC Name2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)(F)C(Br)C(Br)C(F)(F)F
InChIInChI=1S/C4H2Br2F6/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H
InChIKeyCLDAABVXWZWULA-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

CID 87719
CID 87719
CID 2736806
CID 2736806
CID 2776850
CID 2776850
CID 2736781
CID 2736781
CID 56587764
CID 56587764
CID 2736759
CID 2736759
CID 2758035
CID 2758035
CID 2773990
CID 2773990
CID 12637090
CID 12637090
CID 45075707
CID 45075707
CID 141516218
CID 141516218
CID 2778192
CID 2778192

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane?
The IUPAC name of 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane (CID 2736774) is 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane.
What is the SMILES notation for 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane?
The canonical SMILES for 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane is FC(F)(F)C(Br)C(Br)C(F)(F)F.
What is the InChIKey of 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane?
The InChIKey is CLDAABVXWZWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2F6/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H.
What are the key properties of 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane?
2,3-dibromo-1,1,1,4,4,4-hexafluorobutane has a molecular weight of 323.86 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,1,1,4,4,4-hexafluorobutane is sourced from PubChem (CID 2736774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).