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

C3H3ClF4O — CID 88609692

IUPAC2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane
SMILESFCOC(Cl)C(F)(F)F
InChIInChI=1S/C3H3ClF4O/c4-2(9-1-5)3(6,7)8/h2H,1H2
InChIKeyIRODRYZJYMYDOB-UHFFFAOYSA-N
MW166.50 g/mol
LogP2.06
Rot. Bonds2

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

2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane (PubChem CID 88609692) has the molecular formula C3H3ClF4O and a molecular weight of 166.50 g/mol. Its IUPAC name is 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane.

Molecular Properties

Compound Name2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane
PubChem CID88609692
Molecular FormulaC3H3ClF4O
Molecular Weight166.50 g/mol
Exact Mass165.98
IUPAC Name2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane
SMILESFCOC(Cl)C(F)(F)F
InChIInChI=1S/C3H3ClF4O/c4-2(9-1-5)3(6,7)8/h2H,1H2
InChIKeyIRODRYZJYMYDOB-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.50
LogP ≤ 52.06
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-(fluoromethoxy)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-(fluoromethoxy)ethane?
The IUPAC name of 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane (CID 88609692) is 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane.
What is the SMILES notation for 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane?
The canonical SMILES for 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane is FCOC(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane?
The InChIKey is IRODRYZJYMYDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF4O/c4-2(9-1-5)3(6,7)8/h2H,1H2.
What are the key properties of 2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane?
2-chloro-1,1,1-trifluoro-2-(fluoromethoxy)ethane has a molecular weight of 166.50 g/mol, XLogP of 2.06, 2 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-(fluoromethoxy)ethane is sourced from PubChem (CID 88609692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).