2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane

C3HClF6O — CID 13294155

IUPAC2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Cl)C(F)(F)F
InChIInChI=1S/C3HClF6O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKeyGIEVZGRMIONDJZ-UHFFFAOYSA-N
MW202.48 g/mol
LogP2.65
Rot. Bonds1

About 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane

2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane (PubChem CID 13294155) has the molecular formula C3HClF6O and a molecular weight of 202.48 g/mol. Its IUPAC name is 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane
PubChem CID13294155
Molecular FormulaC3HClF6O
Molecular Weight202.48 g/mol
Exact Mass201.96
IUPAC Name2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Cl)C(F)(F)F
InChIInChI=1S/C3HClF6O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKeyGIEVZGRMIONDJZ-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane 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-1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane (CID 13294155) is 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane is FC(F)(F)OC(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
The InChIKey is GIEVZGRMIONDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF6O/c4-1(2(5,6)7)11-3(8,9)10/h1H.
What are the key properties of 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane?
2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane has a molecular weight of 202.48 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 13294155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).