1,1,3-trichloro-1,3-difluoropropane

C3H3Cl3F2 — CID 23295392

IUPAC1,1,3-trichloro-1,3-difluoropropane
SMILESFC(Cl)CC(F)(Cl)Cl
InChIInChI=1S/C3H3Cl3F2/c4-2(7)1-3(5,6)8/h2H,1H2
InChIKeyARZIATWEDXNIKG-UHFFFAOYSA-N
MW183.41 g/mol
LogP3.01
Rot. Bonds2

About 1,1,3-trichloro-1,3-difluoropropane

1,1,3-trichloro-1,3-difluoropropane (PubChem CID 23295392) has the molecular formula C3H3Cl3F2 and a molecular weight of 183.41 g/mol. Its IUPAC name is 1,1,3-trichloro-1,3-difluoropropane.

Molecular Properties

Compound Name1,1,3-trichloro-1,3-difluoropropane
PubChem CID23295392
Molecular FormulaC3H3Cl3F2
Molecular Weight183.41 g/mol
Exact Mass181.93
IUPAC Name1,1,3-trichloro-1,3-difluoropropane
SMILESFC(Cl)CC(F)(Cl)Cl
InChIInChI=1S/C3H3Cl3F2/c4-2(7)1-3(5,6)8/h2H,1H2
InChIKeyARZIATWEDXNIKG-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,3-Dichloro-1,1,1,2,2-pentafluoropropane
CID 61112
3,3-Dichloro-1,1,1-trifluoropropane
CID 10002
Propane, trichlorotrifluoro-
CID 2776868
1,3,3-Trichloro-1,1,2,2-tetrafluoropropane
CID 67909
1,1,1,3,3-Pentachloro-2,2-difluoropropane
CID 150250
1,1,3,3-Tetrachloro-1,2,2-trifluoropropane
CID 3036567
1,1-Dichloro-2,2,3,3-tetrafluoropropane
CID 77685
1,1,1,3-Tetrachloro-2,2-difluoropropane
CID 15084882
1,1,2,3,3-Pentachloro-1,3-difluoropropane
CID 21731136
1,1,3-Trichloro-1-fluoropropane
CID 2782620
1,1,1,3-Tetrachloro-2,2,3-trifluoropropane
CID 12894253
1,3-Dichloro-1,2,2-trifluoropropane
CID 14794046

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trichloro-1,3-difluoropropane?
The IUPAC name of 1,1,3-trichloro-1,3-difluoropropane (CID 23295392) is 1,1,3-trichloro-1,3-difluoropropane.
What is the SMILES notation for 1,1,3-trichloro-1,3-difluoropropane?
The canonical SMILES for 1,1,3-trichloro-1,3-difluoropropane is FC(Cl)CC(F)(Cl)Cl.
What is the InChIKey of 1,1,3-trichloro-1,3-difluoropropane?
The InChIKey is ARZIATWEDXNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl3F2/c4-2(7)1-3(5,6)8/h2H,1H2.
What are the key properties of 1,1,3-trichloro-1,3-difluoropropane?
1,1,3-trichloro-1,3-difluoropropane has a molecular weight of 183.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trichloro-1,3-difluoropropane is sourced from PubChem (CID 23295392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).