2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid

C10H10F2O2 — CID 91654271

IUPAC2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
SMILESCc1cccc(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C10H10F2O2/c1-6-4-3-5-7(2)8(6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyXOOGIJSNARCZCA-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.48
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid

2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid (PubChem CID 91654271) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
PubChem CID91654271
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
SMILESCc1cccc(C)c1C(F)(F)C(=O)O
InChIInChI=1S/C10H10F2O2/c1-6-4-3-5-7(2)8(6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyXOOGIJSNARCZCA-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid (CID 91654271) is 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid is Cc1cccc(C)c1C(F)(F)C(=O)O.
What is the InChIKey of 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid?
The InChIKey is XOOGIJSNARCZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-4-3-5-7(2)8(6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid?
2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid has a molecular weight of 200.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 91654271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).