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

C3H5ClF2O — CID 23206985

IUPAC1-chloro-2,2-difluoro-1-methoxyethane
SMILESCOC(Cl)C(F)F
InChIInChI=1S/C3H5ClF2O/c1-7-2(4)3(5)6/h2-3H,1H3
InChIKeyLUDGNRNKDYNKIF-UHFFFAOYSA-N
MW130.52 g/mol
LogP1.46
Rot. Bonds2

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

1-chloro-2,2-difluoro-1-methoxyethane (PubChem CID 23206985) has the molecular formula C3H5ClF2O and a molecular weight of 130.52 g/mol. Its IUPAC name is 1-chloro-2,2-difluoro-1-methoxyethane.

Molecular Properties

Compound Name1-chloro-2,2-difluoro-1-methoxyethane
PubChem CID23206985
Molecular FormulaC3H5ClF2O
Molecular Weight130.52 g/mol
Exact Mass130.00
IUPAC Name1-chloro-2,2-difluoro-1-methoxyethane
SMILESCOC(Cl)C(F)F
InChIInChI=1S/C3H5ClF2O/c1-7-2(4)3(5)6/h2-3H,1H3
InChIKeyLUDGNRNKDYNKIF-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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2-difluoro-1-methoxyethane?
The IUPAC name of 1-chloro-2,2-difluoro-1-methoxyethane (CID 23206985) is 1-chloro-2,2-difluoro-1-methoxyethane.
What is the SMILES notation for 1-chloro-2,2-difluoro-1-methoxyethane?
The canonical SMILES for 1-chloro-2,2-difluoro-1-methoxyethane is COC(Cl)C(F)F.
What is the InChIKey of 1-chloro-2,2-difluoro-1-methoxyethane?
The InChIKey is LUDGNRNKDYNKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2O/c1-7-2(4)3(5)6/h2-3H,1H3.
What are the key properties of 1-chloro-2,2-difluoro-1-methoxyethane?
1-chloro-2,2-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 1-chloro-2,2-difluoro-1-methoxyethane is sourced from PubChem (CID 23206985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).