1,1,1,2,2,3-hexachloro-3,3-difluoropropane

C3Cl6F2 — CID 522198

IUPAC1,1,1,2,2,3-hexachloro-3,3-difluoropropane
SMILESFC(F)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl6F2/c4-1(5,2(6,7)8)3(9,10)11
InChIKeyNKPXIDLSGFFJOI-UHFFFAOYSA-N
MW286.75 g/mol
LogP4.36
Rot. Bonds1

About 1,1,1,2,2,3-hexachloro-3,3-difluoropropane

1,1,1,2,2,3-hexachloro-3,3-difluoropropane (PubChem CID 522198) has the molecular formula C3Cl6F2 and a molecular weight of 286.75 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexachloro-3,3-difluoropropane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexachloro-3,3-difluoropropane
PubChem CID522198
Molecular FormulaC3Cl6F2
Molecular Weight286.75 g/mol
Exact Mass283.81
IUPAC Name1,1,1,2,2,3-hexachloro-3,3-difluoropropane
SMILESFC(F)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl6F2/c4-1(5,2(6,7)8)3(9,10)11
InChIKeyNKPXIDLSGFFJOI-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 54.36
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 1,1,1,2,2,3-hexachloro-3,3-difluoropropane?
The IUPAC name of 1,1,1,2,2,3-hexachloro-3,3-difluoropropane (CID 522198) is 1,1,1,2,2,3-hexachloro-3,3-difluoropropane.
What is the SMILES notation for 1,1,1,2,2,3-hexachloro-3,3-difluoropropane?
The canonical SMILES for 1,1,1,2,2,3-hexachloro-3,3-difluoropropane is FC(F)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,2,3-hexachloro-3,3-difluoropropane?
The InChIKey is NKPXIDLSGFFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl6F2/c4-1(5,2(6,7)8)3(9,10)11.
What are the key properties of 1,1,1,2,2,3-hexachloro-3,3-difluoropropane?
1,1,1,2,2,3-hexachloro-3,3-difluoropropane has a molecular weight of 286.75 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexachloro-3,3-difluoropropane is sourced from PubChem (CID 522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).