2,2-difluoro-2-methoxyacetate

C3H3F2O3- — CID 164747737

IUPAC2,2-difluoro-2-methoxyacetate
SMILESCOC(F)(F)C(=O)[O-]
InChIInChI=1S/C3H4F2O3/c1-8-3(4,5)2(6)7/h1H3,(H,6,7)/p-1
InChIKeyKCGCXLSDRPQIHU-UHFFFAOYSA-M
MW125.05 g/mol
LogP-1.02
Rot. Bonds2

About 2,2-difluoro-2-methoxyacetate

2,2-difluoro-2-methoxyacetate (PubChem CID 164747737) has the molecular formula C3H3F2O3- and a molecular weight of 125.05 g/mol. Its IUPAC name is 2,2-difluoro-2-methoxyacetate.

Molecular Properties

Compound Name2,2-difluoro-2-methoxyacetate
PubChem CID164747737
Molecular FormulaC3H3F2O3-
Molecular Weight125.05 g/mol
Exact Mass125.01
IUPAC Name2,2-difluoro-2-methoxyacetate
SMILESCOC(F)(F)C(=O)[O-]
InChIInChI=1S/C3H4F2O3/c1-8-3(4,5)2(6)7/h1H3,(H,6,7)/p-1
InChIKeyKCGCXLSDRPQIHU-UHFFFAOYSA-M
XLogP-1.02
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.05
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-methoxyacetate?
The IUPAC name of 2,2-difluoro-2-methoxyacetate (CID 164747737) is 2,2-difluoro-2-methoxyacetate.
What is the SMILES notation for 2,2-difluoro-2-methoxyacetate?
The canonical SMILES for 2,2-difluoro-2-methoxyacetate is COC(F)(F)C(=O)[O-].
What is the InChIKey of 2,2-difluoro-2-methoxyacetate?
The InChIKey is KCGCXLSDRPQIHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F2O3/c1-8-3(4,5)2(6)7/h1H3,(H,6,7)/p-1.
What are the key properties of 2,2-difluoro-2-methoxyacetate?
2,2-difluoro-2-methoxyacetate has a molecular weight of 125.05 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-methoxyacetate is sourced from PubChem (CID 164747737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).