1,1,1-trichloro-2,3,3-trifluoropropane

C3H2Cl3F3 — CID 54124520

IUPAC1,1,1-trichloro-2,3,3-trifluoropropane
SMILESFC(F)C(F)C(Cl)(Cl)Cl
InChIInChI=1S/C3H2Cl3F3/c4-3(5,6)1(7)2(8)9/h1-2H
InChIKeyFNQVSKPUMAMGTM-UHFFFAOYSA-N
MW201.40 g/mol
LogP2.96
Rot. Bonds1

About 1,1,1-trichloro-2,3,3-trifluoropropane

1,1,1-trichloro-2,3,3-trifluoropropane (PubChem CID 54124520) has the molecular formula C3H2Cl3F3 and a molecular weight of 201.40 g/mol. Its IUPAC name is 1,1,1-trichloro-2,3,3-trifluoropropane.

Molecular Properties

Compound Name1,1,1-trichloro-2,3,3-trifluoropropane
PubChem CID54124520
Molecular FormulaC3H2Cl3F3
Molecular Weight201.40 g/mol
Exact Mass199.92
IUPAC Name1,1,1-trichloro-2,3,3-trifluoropropane
SMILESFC(F)C(F)C(Cl)(Cl)Cl
InChIInChI=1S/C3H2Cl3F3/c4-3(5,6)1(7)2(8)9/h1-2H
InChIKeyFNQVSKPUMAMGTM-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1-trichloro-2,3,3-trifluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichloro-2,3,3-trifluoropropane?
The IUPAC name of 1,1,1-trichloro-2,3,3-trifluoropropane (CID 54124520) is 1,1,1-trichloro-2,3,3-trifluoropropane.
What is the SMILES notation for 1,1,1-trichloro-2,3,3-trifluoropropane?
The canonical SMILES for 1,1,1-trichloro-2,3,3-trifluoropropane is FC(F)C(F)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichloro-2,3,3-trifluoropropane?
The InChIKey is FNQVSKPUMAMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl3F3/c4-3(5,6)1(7)2(8)9/h1-2H.
What are the key properties of 1,1,1-trichloro-2,3,3-trifluoropropane?
1,1,1-trichloro-2,3,3-trifluoropropane has a molecular weight of 201.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichloro-2,3,3-trifluoropropane is sourced from PubChem (CID 54124520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).