2-(2,6-dimethylphenoxy)-2,2-difluoroacetate

C10H9F2O3- — CID 164747707

IUPAC2-(2,6-dimethylphenoxy)-2,2-difluoroacetate
SMILESCc1cccc(C)c1OC(F)(F)C(=O)[O-]
InChIInChI=1S/C10H10F2O3/c1-6-4-3-5-7(2)8(6)15-10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)/p-1
InChIKeyRKJUIHZMKXKEGI-UHFFFAOYSA-M
MW215.17 g/mol
LogP1.02
Rot. Bonds3

About 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate

2-(2,6-dimethylphenoxy)-2,2-difluoroacetate (PubChem CID 164747707) has the molecular formula C10H9F2O3- and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-2,2-difluoroacetate
PubChem CID164747707
Molecular FormulaC10H9F2O3-
Molecular Weight215.17 g/mol
Exact Mass215.05
IUPAC Name2-(2,6-dimethylphenoxy)-2,2-difluoroacetate
SMILESCc1cccc(C)c1OC(F)(F)C(=O)[O-]
InChIInChI=1S/C10H10F2O3/c1-6-4-3-5-7(2)8(6)15-10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)/p-1
InChIKeyRKJUIHZMKXKEGI-UHFFFAOYSA-M
XLogP1.02
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate?
The IUPAC name of 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate (CID 164747707) is 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate is Cc1cccc(C)c1OC(F)(F)C(=O)[O-].
What is the InChIKey of 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate?
The InChIKey is RKJUIHZMKXKEGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10F2O3/c1-6-4-3-5-7(2)8(6)15-10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)/p-1.
What are the key properties of 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate?
2-(2,6-dimethylphenoxy)-2,2-difluoroacetate has a molecular weight of 215.17 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 164747707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).