1,1,1,3-tetrachloro-2,2-difluoropropane

C3H2Cl4F2 — CID 15084882

IUPAC1,1,1,3-tetrachloro-2,2-difluoropropane
SMILESFC(F)(CCl)C(Cl)(Cl)Cl
InChIInChI=1S/C3H2Cl4F2/c4-1-2(8,9)3(5,6)7/h1H2
InChIKeyNNLZQOYNHXZPIM-UHFFFAOYSA-N
MW217.86 g/mol
LogP3.23
Rot. Bonds1

About 1,1,1,3-tetrachloro-2,2-difluoropropane

1,1,1,3-tetrachloro-2,2-difluoropropane (PubChem CID 15084882) has the molecular formula C3H2Cl4F2 and a molecular weight of 217.86 g/mol. Its IUPAC name is 1,1,1,3-tetrachloro-2,2-difluoropropane.

Molecular Properties

Compound Name1,1,1,3-tetrachloro-2,2-difluoropropane
PubChem CID15084882
Molecular FormulaC3H2Cl4F2
Molecular Weight217.86 g/mol
Exact Mass215.89
IUPAC Name1,1,1,3-tetrachloro-2,2-difluoropropane
SMILESFC(F)(CCl)C(Cl)(Cl)Cl
InChIInChI=1S/C3H2Cl4F2/c4-1-2(8,9)3(5,6)7/h1H2
InChIKeyNNLZQOYNHXZPIM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.86
LogP ≤ 53.23
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 1,1,1,3-tetrachloro-2,2-difluoropropane?
The IUPAC name of 1,1,1,3-tetrachloro-2,2-difluoropropane (CID 15084882) is 1,1,1,3-tetrachloro-2,2-difluoropropane.
What is the SMILES notation for 1,1,1,3-tetrachloro-2,2-difluoropropane?
The canonical SMILES for 1,1,1,3-tetrachloro-2,2-difluoropropane is FC(F)(CCl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,3-tetrachloro-2,2-difluoropropane?
The InChIKey is NNLZQOYNHXZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl4F2/c4-1-2(8,9)3(5,6)7/h1H2.
What are the key properties of 1,1,1,3-tetrachloro-2,2-difluoropropane?
1,1,1,3-tetrachloro-2,2-difluoropropane has a molecular weight of 217.86 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrachloro-2,2-difluoropropane is sourced from PubChem (CID 15084882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).