1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane

C3HCl3F4O — CID 13294154

IUPAC1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Cl)C(F)(Cl)Cl
InChIInChI=1S/C3HCl3F4O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKeyTYAWQASXBDYRLQ-UHFFFAOYSA-N
MW235.39 g/mol
LogP3.19
Rot. Bonds2

About 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane

1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane (PubChem CID 13294154) has the molecular formula C3HCl3F4O and a molecular weight of 235.39 g/mol. Its IUPAC name is 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane
PubChem CID13294154
Molecular FormulaC3HCl3F4O
Molecular Weight235.39 g/mol
Exact Mass233.90
IUPAC Name1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Cl)C(F)(Cl)Cl
InChIInChI=1S/C3HCl3F4O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKeyTYAWQASXBDYRLQ-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane (CID 13294154) is 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane is FC(F)(F)OC(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane?
The InChIKey is TYAWQASXBDYRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3F4O/c4-1(2(5,6)7)11-3(8,9)10/h1H.
What are the key properties of 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane?
1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane has a molecular weight of 235.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 13294154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).