1,1,3,3-tetrachloro-1,3-difluoropropane

C3H2Cl4F2 — CID 23237200

IUPAC1,1,3,3-tetrachloro-1,3-difluoropropane
SMILESFC(Cl)(Cl)CC(F)(Cl)Cl
InChIInChI=1S/C3H2Cl4F2/c4-2(5,8)1-3(6,7)9/h1H2
InChIKeyJQSJRABPCHXQTR-UHFFFAOYSA-N
MW217.86 g/mol
LogP3.58
Rot. Bonds2

About 1,1,3,3-tetrachloro-1,3-difluoropropane

1,1,3,3-tetrachloro-1,3-difluoropropane (PubChem CID 23237200) has the molecular formula C3H2Cl4F2 and a molecular weight of 217.86 g/mol. Its IUPAC name is 1,1,3,3-tetrachloro-1,3-difluoropropane.

Molecular Properties

Compound Name1,1,3,3-tetrachloro-1,3-difluoropropane
PubChem CID23237200
Molecular FormulaC3H2Cl4F2
Molecular Weight217.86 g/mol
Exact Mass215.89
IUPAC Name1,1,3,3-tetrachloro-1,3-difluoropropane
SMILESFC(Cl)(Cl)CC(F)(Cl)Cl
InChIInChI=1S/C3H2Cl4F2/c4-2(5,8)1-3(6,7)9/h1H2
InChIKeyJQSJRABPCHXQTR-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.86
LogP ≤ 53.58
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 1,1,3,3-tetrachloro-1,3-difluoropropane?
The IUPAC name of 1,1,3,3-tetrachloro-1,3-difluoropropane (CID 23237200) is 1,1,3,3-tetrachloro-1,3-difluoropropane.
What is the SMILES notation for 1,1,3,3-tetrachloro-1,3-difluoropropane?
The canonical SMILES for 1,1,3,3-tetrachloro-1,3-difluoropropane is FC(Cl)(Cl)CC(F)(Cl)Cl.
What is the InChIKey of 1,1,3,3-tetrachloro-1,3-difluoropropane?
The InChIKey is JQSJRABPCHXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl4F2/c4-2(5,8)1-3(6,7)9/h1H2.
What are the key properties of 1,1,3,3-tetrachloro-1,3-difluoropropane?
1,1,3,3-tetrachloro-1,3-difluoropropane has a molecular weight of 217.86 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrachloro-1,3-difluoropropane is sourced from PubChem (CID 23237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).