2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane

C3H2Cl3F3O — CID 3013880

IUPAC2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
SMILESFC(Cl)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C3H2Cl3F3O/c4-1(7)3(8,9)10-2(5)6/h1-2H
InChIKeyFTIQRZXWIUQTJF-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane

2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane (PubChem CID 3013880) has the molecular formula C3H2Cl3F3O and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane.

Molecular Properties

Compound Name2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
PubChem CID3013880
Molecular FormulaC3H2Cl3F3O
Molecular Weight217.40 g/mol
Exact Mass215.91
IUPAC Name2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
SMILESFC(Cl)C(F)(F)OC(Cl)Cl
InChIInChI=1S/C3H2Cl3F3O/c4-1(7)3(8,9)10-2(5)6/h1-2H
InChIKeyFTIQRZXWIUQTJF-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.89
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 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane?
The IUPAC name of 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane (CID 3013880) is 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane.
What is the SMILES notation for 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane?
The canonical SMILES for 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane is FC(Cl)C(F)(F)OC(Cl)Cl.
What is the InChIKey of 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane?
The InChIKey is FTIQRZXWIUQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl3F3O/c4-1(7)3(8,9)10-2(5)6/h1-2H.
What are the key properties of 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane?
2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane has a molecular weight of 217.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane is sourced from PubChem (CID 3013880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).