1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane

C4BrCl2F7 — CID 139890181

IUPAC1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)Br
InChIInChI=1S/C4BrCl2F7/c5-3(11,12)2(9,10)1(6,8)4(7,13)14
InChIKeyUTAYBZYXSKEXQU-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.35
Rot. Bonds3

About 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane

1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane (PubChem CID 139890181) has the molecular formula C4BrCl2F7 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane.

Molecular Properties

Compound Name1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
PubChem CID139890181
Molecular FormulaC4BrCl2F7
Molecular Weight331.84 g/mol
Exact Mass329.84
IUPAC Name1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)Br
InChIInChI=1S/C4BrCl2F7/c5-3(11,12)2(9,10)1(6,8)4(7,13)14
InChIKeyUTAYBZYXSKEXQU-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane?
The IUPAC name of 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane (CID 139890181) is 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane.
What is the SMILES notation for 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane?
The canonical SMILES for 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane is FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane?
The InChIKey is UTAYBZYXSKEXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrCl2F7/c5-3(11,12)2(9,10)1(6,8)4(7,13)14.
What are the key properties of 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane?
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane has a molecular weight of 331.84 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane is sourced from PubChem (CID 139890181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).