2,2-dichloro-1-ethoxy-1,1-difluoroethane

C4H6Cl2F2O — CID 524267

IUPAC2,2-dichloro-1-ethoxy-1,1-difluoroethane
SMILESCCOC(F)(F)C(Cl)Cl
InChIInChI=1S/C4H6Cl2F2O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKeyRVZBQBQBQKUNLU-UHFFFAOYSA-N
MW178.99 g/mol
LogP2.42
Rot. Bonds3

About 2,2-dichloro-1-ethoxy-1,1-difluoroethane

2,2-dichloro-1-ethoxy-1,1-difluoroethane (PubChem CID 524267) has the molecular formula C4H6Cl2F2O and a molecular weight of 178.99 g/mol. Its IUPAC name is 2,2-dichloro-1-ethoxy-1,1-difluoroethane.

Molecular Properties

Compound Name2,2-dichloro-1-ethoxy-1,1-difluoroethane
PubChem CID524267
Molecular FormulaC4H6Cl2F2O
Molecular Weight178.99 g/mol
Exact Mass177.98
IUPAC Name2,2-dichloro-1-ethoxy-1,1-difluoroethane
SMILESCCOC(F)(F)C(Cl)Cl
InChIInChI=1S/C4H6Cl2F2O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKeyRVZBQBQBQKUNLU-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 52.42
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 2,2-dichloro-1-ethoxy-1,1-difluoroethane?
The IUPAC name of 2,2-dichloro-1-ethoxy-1,1-difluoroethane (CID 524267) is 2,2-dichloro-1-ethoxy-1,1-difluoroethane.
What is the SMILES notation for 2,2-dichloro-1-ethoxy-1,1-difluoroethane?
The canonical SMILES for 2,2-dichloro-1-ethoxy-1,1-difluoroethane is CCOC(F)(F)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-ethoxy-1,1-difluoroethane?
The InChIKey is RVZBQBQBQKUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2F2O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3.
What are the key properties of 2,2-dichloro-1-ethoxy-1,1-difluoroethane?
2,2-dichloro-1-ethoxy-1,1-difluoroethane has a molecular weight of 178.99 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-ethoxy-1,1-difluoroethane is sourced from PubChem (CID 524267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).