1,1-dichloro-2,2-difluoro-1-methoxyethane

C3H4Cl2F2O — CID 23176031

IUPAC1,1-dichloro-2,2-difluoro-1-methoxyethane
SMILESCOC(Cl)(Cl)C(F)F
InChIInChI=1S/C3H4Cl2F2O/c1-8-3(4,5)2(6)7/h2H,1H3
InChIKeyNWVBAOKYACOFKR-UHFFFAOYSA-N
MW164.97 g/mol
LogP2.03
Rot. Bonds2

About 1,1-dichloro-2,2-difluoro-1-methoxyethane

1,1-dichloro-2,2-difluoro-1-methoxyethane (PubChem CID 23176031) has the molecular formula C3H4Cl2F2O and a molecular weight of 164.97 g/mol. Its IUPAC name is 1,1-dichloro-2,2-difluoro-1-methoxyethane.

Molecular Properties

Compound Name1,1-dichloro-2,2-difluoro-1-methoxyethane
PubChem CID23176031
Molecular FormulaC3H4Cl2F2O
Molecular Weight164.97 g/mol
Exact Mass163.96
IUPAC Name1,1-dichloro-2,2-difluoro-1-methoxyethane
SMILESCOC(Cl)(Cl)C(F)F
InChIInChI=1S/C3H4Cl2F2O/c1-8-3(4,5)2(6)7/h2H,1H3
InChIKeyNWVBAOKYACOFKR-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-2,2-difluoro-1-methoxyethane?
The IUPAC name of 1,1-dichloro-2,2-difluoro-1-methoxyethane (CID 23176031) is 1,1-dichloro-2,2-difluoro-1-methoxyethane.
What is the SMILES notation for 1,1-dichloro-2,2-difluoro-1-methoxyethane?
The canonical SMILES for 1,1-dichloro-2,2-difluoro-1-methoxyethane is COC(Cl)(Cl)C(F)F.
What is the InChIKey of 1,1-dichloro-2,2-difluoro-1-methoxyethane?
The InChIKey is NWVBAOKYACOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2O/c1-8-3(4,5)2(6)7/h2H,1H3.
What are the key properties of 1,1-dichloro-2,2-difluoro-1-methoxyethane?
1,1-dichloro-2,2-difluoro-1-methoxyethane has a molecular weight of 164.97 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2-difluoro-1-methoxyethane is sourced from PubChem (CID 23176031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).