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

C3H4Cl2F2O — CID 4116

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IUPAC2,2-dichloro-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)C(Cl)Cl
InChIInChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKeyRFKMCNOHBTXSMU-UHFFFAOYSA-N
MW164.97 g/mol
LogP2.03
Rot. Bonds2

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

2,2-dichloro-1,1-difluoro-1-methoxyethane (PubChem CID 4116) has the molecular formula C3H4Cl2F2O and a molecular weight of 164.97 g/mol. Its IUPAC name is 2,2-dichloro-1,1-difluoro-1-methoxyethane.

Molecular Properties

Compound Name2,2-dichloro-1,1-difluoro-1-methoxyethane
PubChem CID4116
Molecular FormulaC3H4Cl2F2O
Molecular Weight164.97 g/mol
Exact Mass163.96
IUPAC Name2,2-dichloro-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)C(Cl)Cl
InChIInChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKeyRFKMCNOHBTXSMU-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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Related Compounds

2-Chloro-1,1,2-trifluoroethyl methyl ether
CID 9877
Ethane, 2-chloro-1,1-difluoro-1-methoxy-
CID 9884
2-Chloro-1-(chloromethoxy)-1,1,2-trifluoroethane
CID 101670
2,2-Dichloro-1,1-difluoroethyl difluoromethyl ether
CID 152803
2-Chloro-1-(dichloromethoxy)-1,1,2-trifluoroethane
CID 3013880
2-Deuterio-2,2-dichloro-1,1-difluoroethyl methyl ether
CID 22807709
2,2-Dichloro-1-ethoxy-1,1-difluoroethane
CID 524267
(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane
CID 6999966
2,2-Dichloro-1-(chloromethoxy)-1,1-difluoroethane
CID 85821752
2,2-Dichloro-1,1-difluoro-1-(trideuteriomethoxy)ethane
CID 12314149
1,1-Dichloro-1-deuterio-2,2-difluoro-2-(trideuteriomethoxy)ethane
CID 12314150
1-(Dichloromethoxy)-1,1-difluoroethane
CID 20579839

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,1-difluoro-1-methoxyethane?
The IUPAC name of 2,2-dichloro-1,1-difluoro-1-methoxyethane (CID 4116) is 2,2-dichloro-1,1-difluoro-1-methoxyethane.
What is the SMILES notation for 2,2-dichloro-1,1-difluoro-1-methoxyethane?
The canonical SMILES for 2,2-dichloro-1,1-difluoro-1-methoxyethane is COC(F)(F)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1,1-difluoro-1-methoxyethane?
The InChIKey is RFKMCNOHBTXSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3.
What are the key properties of 2,2-dichloro-1,1-difluoro-1-methoxyethane?
2,2-dichloro-1,1-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 2,2-dichloro-1,1-difluoro-1-methoxyethane is sourced from PubChem (CID 4116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).