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

C3H2ClF5 — CID 15829170

IUPAC2-chloro-1,1,2,3,3-pentafluoropropane
SMILESFC(F)C(F)(Cl)C(F)F
InChIInChI=1S/C3H2ClF5/c4-3(9,1(5)6)2(7)8/h1-2H
InChIKeyWQFDUYPAWUTJPA-UHFFFAOYSA-N
MW168.49 g/mol
LogP2.42
Rot. Bonds2

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

2-chloro-1,1,2,3,3-pentafluoropropane (PubChem CID 15829170) has the molecular formula C3H2ClF5 and a molecular weight of 168.49 g/mol. Its IUPAC name is 2-chloro-1,1,2,3,3-pentafluoropropane.

Molecular Properties

Compound Name2-chloro-1,1,2,3,3-pentafluoropropane
PubChem CID15829170
Molecular FormulaC3H2ClF5
Molecular Weight168.49 g/mol
Exact Mass167.98
IUPAC Name2-chloro-1,1,2,3,3-pentafluoropropane
SMILESFC(F)C(F)(Cl)C(F)F
InChIInChI=1S/C3H2ClF5/c4-3(9,1(5)6)2(7)8/h1-2H
InChIKeyWQFDUYPAWUTJPA-UHFFFAOYSA-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 ≤ 500168.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1,1,2,3,3-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 2-chloro-1,1,2,3,3-pentafluoropropane?
The IUPAC name of 2-chloro-1,1,2,3,3-pentafluoropropane (CID 15829170) is 2-chloro-1,1,2,3,3-pentafluoropropane.
What is the SMILES notation for 2-chloro-1,1,2,3,3-pentafluoropropane?
The canonical SMILES for 2-chloro-1,1,2,3,3-pentafluoropropane is FC(F)C(F)(Cl)C(F)F.
What is the InChIKey of 2-chloro-1,1,2,3,3-pentafluoropropane?
The InChIKey is WQFDUYPAWUTJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF5/c4-3(9,1(5)6)2(7)8/h1-2H.
What are the key properties of 2-chloro-1,1,2,3,3-pentafluoropropane?
2-chloro-1,1,2,3,3-pentafluoropropane has a molecular weight of 168.49 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 2-chloro-1,1,2,3,3-pentafluoropropane is sourced from PubChem (CID 15829170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).