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

C3H3Cl2F3O — CID 21325446

IUPAC1-(dichloromethoxy)-1,2,2-trifluoroethane
SMILESFC(F)C(F)OC(Cl)Cl
InChIInChI=1S/C3H3Cl2F3O/c4-3(5)9-2(8)1(6)7/h1-3H
InChIKeyXRIMKZRSSACKHM-UHFFFAOYSA-N
MW182.96 g/mol
LogP2.32
Rot. Bonds3

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

1-(dichloromethoxy)-1,2,2-trifluoroethane (PubChem CID 21325446) has the molecular formula C3H3Cl2F3O and a molecular weight of 182.96 g/mol. Its IUPAC name is 1-(dichloromethoxy)-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1-(dichloromethoxy)-1,2,2-trifluoroethane
PubChem CID21325446
Molecular FormulaC3H3Cl2F3O
Molecular Weight182.96 g/mol
Exact Mass181.95
IUPAC Name1-(dichloromethoxy)-1,2,2-trifluoroethane
SMILESFC(F)C(F)OC(Cl)Cl
InChIInChI=1S/C3H3Cl2F3O/c4-3(5)9-2(8)1(6)7/h1-3H
InChIKeyXRIMKZRSSACKHM-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.96
LogP ≤ 52.32
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-(dichloromethoxy)-1,2,2-trifluoroethane?
The IUPAC name of 1-(dichloromethoxy)-1,2,2-trifluoroethane (CID 21325446) is 1-(dichloromethoxy)-1,2,2-trifluoroethane.
What is the SMILES notation for 1-(dichloromethoxy)-1,2,2-trifluoroethane?
The canonical SMILES for 1-(dichloromethoxy)-1,2,2-trifluoroethane is FC(F)C(F)OC(Cl)Cl.
What is the InChIKey of 1-(dichloromethoxy)-1,2,2-trifluoroethane?
The InChIKey is XRIMKZRSSACKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2F3O/c4-3(5)9-2(8)1(6)7/h1-3H.
What are the key properties of 1-(dichloromethoxy)-1,2,2-trifluoroethane?
1-(dichloromethoxy)-1,2,2-trifluoroethane has a molecular weight of 182.96 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)-1,2,2-trifluoroethane is sourced from PubChem (CID 21325446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).