4,4-dichloro-1,1,1,2,3,3-hexafluorobutane

C4H2Cl2F6 — CID 12829383

IUPAC4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
SMILESFC(C(F)(F)F)C(F)(F)C(Cl)Cl
InChIInChI=1S/C4H2Cl2F6/c5-2(6)3(8,9)1(7)4(10,11)12/h1-2H
InChIKeyWCZYIXIGTVJBKH-UHFFFAOYSA-N
MW234.95 g/mol
LogP3.33
Rot. Bonds2

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

4,4-dichloro-1,1,1,2,3,3-hexafluorobutane (PubChem CID 12829383) has the molecular formula C4H2Cl2F6 and a molecular weight of 234.95 g/mol. Its IUPAC name is 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane.

Molecular Properties

Compound Name4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
PubChem CID12829383
Molecular FormulaC4H2Cl2F6
Molecular Weight234.95 g/mol
Exact Mass233.94
IUPAC Name4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
SMILESFC(C(F)(F)F)C(F)(F)C(Cl)Cl
InChIInChI=1S/C4H2Cl2F6/c5-2(6)3(8,9)1(7)4(10,11)12/h1-2H
InChIKeyWCZYIXIGTVJBKH-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.95
LogP ≤ 53.33
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 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane?
The IUPAC name of 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane (CID 12829383) is 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane.
What is the SMILES notation for 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane?
The canonical SMILES for 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane is FC(C(F)(F)F)C(F)(F)C(Cl)Cl.
What is the InChIKey of 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane?
The InChIKey is WCZYIXIGTVJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F6/c5-2(6)3(8,9)1(7)4(10,11)12/h1-2H.
What are the key properties of 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane?
4,4-dichloro-1,1,1,2,3,3-hexafluorobutane has a molecular weight of 234.95 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dichloro-1,1,1,2,3,3-hexafluorobutane is sourced from PubChem (CID 12829383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).