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

C4BrCl2F7 — CID 23064957

IUPAC2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(F)(Cl)C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C4BrCl2F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKeyYSDGDFLWOQAEHL-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.35
Rot. Bonds1

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

2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane (PubChem CID 23064957) has the molecular formula C4BrCl2F7 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane.

Molecular Properties

Compound Name2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane
PubChem CID23064957
Molecular FormulaC4BrCl2F7
Molecular Weight331.84 g/mol
Exact Mass329.84
IUPAC Name2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane
SMILESFC(F)(F)C(F)(Cl)C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C4BrCl2F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKeyYSDGDFLWOQAEHL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane?
The IUPAC name of 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane (CID 23064957) is 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane.
What is the SMILES notation for 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane?
The canonical SMILES for 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane is FC(F)(F)C(F)(Cl)C(Cl)(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane?
The InChIKey is YSDGDFLWOQAEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrCl2F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14.
What are the key properties of 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane?
2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane has a molecular weight of 331.84 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3-dichloro-1,1,1,3,4,4,4-heptafluorobutane is sourced from PubChem (CID 23064957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).