1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane

C3H2ClF5 — CID 22808025

IUPAC1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane
SMILES[2H]C(F)(Cl)C(F)(F)C(F)F
InChIInChI=1S/C3H2ClF5/c4-1(5)3(8,9)2(6)7/h1-2H/i1D
InChIKeyFXSNEEBOGAOVIM-MICDWDOJSA-N
MW169.50 g/mol
LogP2.42
Rot. Bonds2

About 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane

1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane (PubChem CID 22808025) has the molecular formula C3H2ClF5 and a molecular weight of 169.50 g/mol. Its IUPAC name is 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane.

Molecular Properties

Compound Name1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane
PubChem CID22808025
Molecular FormulaC3H2ClF5
Molecular Weight169.50 g/mol
Exact Mass168.98
IUPAC Name1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane
SMILES[2H]C(F)(Cl)C(F)(F)C(F)F
InChIInChI=1S/C3H2ClF5/c4-1(5)3(8,9)2(6)7/h1-2H/i1D
InChIKeyFXSNEEBOGAOVIM-MICDWDOJSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane 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-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane?
The IUPAC name of 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane (CID 22808025) is 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane.
What is the SMILES notation for 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane?
The canonical SMILES for 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane is [2H]C(F)(Cl)C(F)(F)C(F)F.
What is the InChIKey of 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane?
The InChIKey is FXSNEEBOGAOVIM-MICDWDOJSA-N. The full InChI is InChI=1S/C3H2ClF5/c4-1(5)3(8,9)2(6)7/h1-2H/i1D.
What are the key properties of 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane?
1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane has a molecular weight of 169.50 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane is sourced from PubChem (CID 22808025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).