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

C3H4Cl2F2O — CID 22807709

IUPAC1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane
SMILES[2H]C(Cl)(Cl)C(F)(F)OC
InChIInChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3/i2D
InChIKeyRFKMCNOHBTXSMU-VMNATFBRSA-N
MW165.97 g/mol
LogP2.03
Rot. Bonds2

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

1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane (PubChem CID 22807709) has the molecular formula C3H4Cl2F2O and a molecular weight of 165.97 g/mol. Its IUPAC name is 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane.

Molecular Properties

Compound Name1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane
PubChem CID22807709
Molecular FormulaC3H4Cl2F2O
Molecular Weight165.97 g/mol
Exact Mass164.97
IUPAC Name1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane
SMILES[2H]C(Cl)(Cl)C(F)(F)OC
InChIInChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3/i2D
InChIKeyRFKMCNOHBTXSMU-VMNATFBRSA-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 ≤ 500165.97
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-1-deuterio-2,2-difluoro-2-methoxyethane?
The IUPAC name of 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane (CID 22807709) is 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane.
What is the SMILES notation for 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane?
The canonical SMILES for 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane is [2H]C(Cl)(Cl)C(F)(F)OC.
What is the InChIKey of 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane?
The InChIKey is RFKMCNOHBTXSMU-VMNATFBRSA-N. The full InChI is InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3/i2D.
What are the key properties of 1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane?
1,1-dichloro-1-deuterio-2,2-difluoro-2-methoxyethane has a molecular weight of 165.97 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-1-deuterio-2,2-difluoro-2-methoxyethane is sourced from PubChem (CID 22807709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).