1,1-dichloro-2-(difluoromethoxy)ethane

C3H4Cl2F2O — CID 88774416

IUPAC1,1-dichloro-2-(difluoromethoxy)ethane
SMILESFC(F)OCC(Cl)Cl
InChIInChI=1S/C3H4Cl2F2O/c4-2(5)1-8-3(6)7/h2-3H,1H2
InChIKeyZIGXQHPBLBJGDZ-UHFFFAOYSA-N
MW164.97 g/mol
LogP2.03
Rot. Bonds3

About 1,1-dichloro-2-(difluoromethoxy)ethane

1,1-dichloro-2-(difluoromethoxy)ethane (PubChem CID 88774416) has the molecular formula C3H4Cl2F2O and a molecular weight of 164.97 g/mol. Its IUPAC name is 1,1-dichloro-2-(difluoromethoxy)ethane.

Molecular Properties

Compound Name1,1-dichloro-2-(difluoromethoxy)ethane
PubChem CID88774416
Molecular FormulaC3H4Cl2F2O
Molecular Weight164.97 g/mol
Exact Mass163.96
IUPAC Name1,1-dichloro-2-(difluoromethoxy)ethane
SMILESFC(F)OCC(Cl)Cl
InChIInChI=1S/C3H4Cl2F2O/c4-2(5)1-8-3(6)7/h2-3H,1H2
InChIKeyZIGXQHPBLBJGDZ-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.97
LogP ≤ 52.03
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-dichloro-2-(difluoromethoxy)ethane?
The IUPAC name of 1,1-dichloro-2-(difluoromethoxy)ethane (CID 88774416) is 1,1-dichloro-2-(difluoromethoxy)ethane.
What is the SMILES notation for 1,1-dichloro-2-(difluoromethoxy)ethane?
The canonical SMILES for 1,1-dichloro-2-(difluoromethoxy)ethane is FC(F)OCC(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-(difluoromethoxy)ethane?
The InChIKey is ZIGXQHPBLBJGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2O/c4-2(5)1-8-3(6)7/h2-3H,1H2.
What are the key properties of 1,1-dichloro-2-(difluoromethoxy)ethane?
1,1-dichloro-2-(difluoromethoxy)ethane has a molecular weight of 164.97 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-(difluoromethoxy)ethane is sourced from PubChem (CID 88774416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).