1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane

C4Br2Cl4F4 — CID 71436852

IUPAC1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane
SMILESFC(Cl)(Cl)C(F)(Cl)C(F)(Br)C(F)(Cl)Br
InChIInChI=1S/C4Br2Cl4F4/c5-1(11,3(6,8)13)2(7,12)4(9,10)14
InChIKeyPNDQFRIYXYCFMW-UHFFFAOYSA-N
MW425.66 g/mol
LogP5.31
Rot. Bonds3

About 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane

1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane (PubChem CID 71436852) has the molecular formula C4Br2Cl4F4 and a molecular weight of 425.66 g/mol. Its IUPAC name is 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane.

Molecular Properties

Compound Name1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane
PubChem CID71436852
Molecular FormulaC4Br2Cl4F4
Molecular Weight425.66 g/mol
Exact Mass421.71
IUPAC Name1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane
SMILESFC(Cl)(Cl)C(F)(Cl)C(F)(Br)C(F)(Cl)Br
InChIInChI=1S/C4Br2Cl4F4/c5-1(11,3(6,8)13)2(7,12)4(9,10)14
InChIKeyPNDQFRIYXYCFMW-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 55.31
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

1,4-Dibromo-2,2,3,3-tetrachloro-1,1,4,4-tetrafluorobutane
CID 15606516
1,2-Dibromo-3,4-dichloro-1,1,2,3,4,4-hexafluorobutane
CID 52991872
2,2-Dibromo-1,1,1-trichloro-3,3,4,4,4-pentafluorobutane
CID 141516230
1,1-Dibromo-1,4,4,4-tetrachloro-2,2,3,3-tetrafluorobutane
CID 141516715
1,1-Dibromo-1,2,2,3,3-pentachloro-4,4,4-trifluorobutane
CID 141516718
1,2-Dibromo-1,1-dichloro-2,3,3,4,4,4-hexafluorobutane
CID 174903019
2,2,3-Tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
CID 175096082
1,2,4-Tribromo-1,2,3-trichloro-1,3,4,4-tetrafluorobutane
CID 175096085
1,1-Dibromo-1,2,2-trichloro-3,3,4,4,4-pentafluorobutane
CID 175098478
1,2-Dibromo-1,3,4-trichloro-1,2,3,4,4-pentafluorobutane
CID 175098479
1,2,2-Tribromo-1,1-dichloro-3,3,4,4,4-pentafluorobutane
CID 175103329
1,3,4-Tribromo-1,2-dichloro-1,2,3,4,4-pentafluorobutane
CID 175103330

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane?
The IUPAC name of 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane (CID 71436852) is 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane.
What is the SMILES notation for 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane?
The canonical SMILES for 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane is FC(Cl)(Cl)C(F)(Cl)C(F)(Br)C(F)(Cl)Br.
What is the InChIKey of 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane?
The InChIKey is PNDQFRIYXYCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Br2Cl4F4/c5-1(11,3(6,8)13)2(7,12)4(9,10)14.
What are the key properties of 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane?
1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane has a molecular weight of 425.66 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1,3,4,4-tetrachloro-1,2,3,4-tetrafluorobutane is sourced from PubChem (CID 71436852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).