2-chloro-1,1-difluoro-1-methoxyethane

C3H5ClF2O — CID 9884

IUPAC2-chloro-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)CCl
InChIInChI=1S/C3H5ClF2O/c1-7-3(5,6)2-4/h2H2,1H3
InChIKeyAQKCWZOXYGNDRI-UHFFFAOYSA-N
MW130.52 g/mol
LogP1.46
Rot. Bonds2

About 2-chloro-1,1-difluoro-1-methoxyethane

2-chloro-1,1-difluoro-1-methoxyethane (PubChem CID 9884) has the molecular formula C3H5ClF2O and a molecular weight of 130.52 g/mol. Its IUPAC name is 2-chloro-1,1-difluoro-1-methoxyethane.

Molecular Properties

Compound Name2-chloro-1,1-difluoro-1-methoxyethane
PubChem CID9884
Molecular FormulaC3H5ClF2O
Molecular Weight130.52 g/mol
Exact Mass130.00
IUPAC Name2-chloro-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)CCl
InChIInChI=1S/C3H5ClF2O/c1-7-3(5,6)2-4/h2H2,1H3
InChIKeyAQKCWZOXYGNDRI-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.52
LogP ≤ 51.46
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

Enflurane
CID 3226
Methoxyflurane
CID 4116
2-Chloro-1,1,2-trifluoroethyl methyl ether
CID 9877
2-Chloro-1,1,2-trifluoroethyl ethyl ether
CID 136152
(R)-Enflurane
CID 11052326
(2S)-2-chloro-1-ethoxy-1,1,2-trifluoroethane
CID 7004811
Methyl-trifluorchlorethylether
CID 129635168
2-Chloro-1-(chloromethoxy)-1,1,2-trifluoroethane
CID 101670
1-Chloro-2-(trifluoromethoxy)ethane
CID 12846024
2-Chloro-1,1,1-trifluoro-2-methoxyethane
CID 21512358
2-Deuterio-2,2-dichloro-1,1-difluoroethyl methyl ether
CID 22807709
1-Chloro-2,2,4-trifluoro-3-oxapentane
CID 12860489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-difluoro-1-methoxyethane?
The IUPAC name of 2-chloro-1,1-difluoro-1-methoxyethane (CID 9884) is 2-chloro-1,1-difluoro-1-methoxyethane.
What is the SMILES notation for 2-chloro-1,1-difluoro-1-methoxyethane?
The canonical SMILES for 2-chloro-1,1-difluoro-1-methoxyethane is COC(F)(F)CCl.
What is the InChIKey of 2-chloro-1,1-difluoro-1-methoxyethane?
The InChIKey is AQKCWZOXYGNDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O/c1-7-3(5,6)2-4/h2H2,1H3.
What are the key properties of 2-chloro-1,1-difluoro-1-methoxyethane?
2-chloro-1,1-difluoro-1-methoxyethane has a molecular weight of 130.52 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-difluoro-1-methoxyethane is sourced from PubChem (CID 9884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).