1,2,3-trichloro-1,2,3-trifluorocyclopropane

C3Cl3F3 — CID 19883767

IUPAC1,2,3-trichloro-1,2,3-trifluorocyclopropane
SMILESFC1(Cl)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C3Cl3F3/c4-1(7)2(5,8)3(1,6)9
InChIKeyXYODTMYDKIWSMY-UHFFFAOYSA-N
MW199.39 g/mol
LogP2.71
Rot. Bonds

About 1,2,3-trichloro-1,2,3-trifluorocyclopropane

1,2,3-trichloro-1,2,3-trifluorocyclopropane (PubChem CID 19883767) has the molecular formula C3Cl3F3 and a molecular weight of 199.39 g/mol. Its IUPAC name is 1,2,3-trichloro-1,2,3-trifluorocyclopropane.

Molecular Properties

Compound Name1,2,3-trichloro-1,2,3-trifluorocyclopropane
PubChem CID19883767
Molecular FormulaC3Cl3F3
Molecular Weight199.39 g/mol
Exact Mass197.90
IUPAC Name1,2,3-trichloro-1,2,3-trifluorocyclopropane
SMILESFC1(Cl)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C3Cl3F3/c4-1(7)2(5,8)3(1,6)9
InChIKeyXYODTMYDKIWSMY-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3-trichloro-1,2,3-trifluorocyclopropane 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 1,2,3-trichloro-1,2,3-trifluorocyclopropane?
The IUPAC name of 1,2,3-trichloro-1,2,3-trifluorocyclopropane (CID 19883767) is 1,2,3-trichloro-1,2,3-trifluorocyclopropane.
What is the SMILES notation for 1,2,3-trichloro-1,2,3-trifluorocyclopropane?
The canonical SMILES for 1,2,3-trichloro-1,2,3-trifluorocyclopropane is FC1(Cl)C(F)(Cl)C1(F)Cl.
What is the InChIKey of 1,2,3-trichloro-1,2,3-trifluorocyclopropane?
The InChIKey is XYODTMYDKIWSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl3F3/c4-1(7)2(5,8)3(1,6)9.
What are the key properties of 1,2,3-trichloro-1,2,3-trifluorocyclopropane?
1,2,3-trichloro-1,2,3-trifluorocyclopropane has a molecular weight of 199.39 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-1,2,3-trifluorocyclopropane is sourced from PubChem (CID 19883767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).