2,3-dichloro-1,1,1,2-tetrafluorohexane

C6H8Cl2F4 — CID 141228744

IUPAC2,3-dichloro-1,1,1,2-tetrafluorohexane
SMILESCCCC(Cl)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C6H8Cl2F4/c1-2-3-4(7)5(8,9)6(10,11)12/h4H,2-3H2,1H3
InChIKeyVULUQUIWRWWUNF-UHFFFAOYSA-N
MW227.03 g/mol
LogP3.86
Rot. Bonds3

About 2,3-dichloro-1,1,1,2-tetrafluorohexane

2,3-dichloro-1,1,1,2-tetrafluorohexane (PubChem CID 141228744) has the molecular formula C6H8Cl2F4 and a molecular weight of 227.03 g/mol. Its IUPAC name is 2,3-dichloro-1,1,1,2-tetrafluorohexane.

Molecular Properties

Compound Name2,3-dichloro-1,1,1,2-tetrafluorohexane
PubChem CID141228744
Molecular FormulaC6H8Cl2F4
Molecular Weight227.03 g/mol
Exact Mass225.99
IUPAC Name2,3-dichloro-1,1,1,2-tetrafluorohexane
SMILESCCCC(Cl)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C6H8Cl2F4/c1-2-3-4(7)5(8,9)6(10,11)12/h4H,2-3H2,1H3
InChIKeyVULUQUIWRWWUNF-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.03
LogP ≤ 53.86
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 2,3-dichloro-1,1,1,2-tetrafluorohexane?
The IUPAC name of 2,3-dichloro-1,1,1,2-tetrafluorohexane (CID 141228744) is 2,3-dichloro-1,1,1,2-tetrafluorohexane.
What is the SMILES notation for 2,3-dichloro-1,1,1,2-tetrafluorohexane?
The canonical SMILES for 2,3-dichloro-1,1,1,2-tetrafluorohexane is CCCC(Cl)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2,3-dichloro-1,1,1,2-tetrafluorohexane?
The InChIKey is VULUQUIWRWWUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2F4/c1-2-3-4(7)5(8,9)6(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 2,3-dichloro-1,1,1,2-tetrafluorohexane?
2,3-dichloro-1,1,1,2-tetrafluorohexane has a molecular weight of 227.03 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,1,1,2-tetrafluorohexane is sourced from PubChem (CID 141228744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).