2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid

C10H10F2O4 — CID 62802317

IUPAC2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid
SMILESCOc1ccc(OC)c(C(F)(F)C(=O)O)c1
InChIInChI=1S/C10H10F2O4/c1-15-6-3-4-8(16-2)7(5-6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyMXUPBXNWIKOFMX-UHFFFAOYSA-N
MW232.18 g/mol
LogP1.88
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid

2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid (PubChem CID 62802317) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid
PubChem CID62802317
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Name2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid
SMILESCOc1ccc(OC)c(C(F)(F)C(=O)O)c1
InChIInChI=1S/C10H10F2O4/c1-15-6-3-4-8(16-2)7(5-6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyMXUPBXNWIKOFMX-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Homogentisic Acid
CID 780
(3,4-Dimethoxyphenyl)acetic acid
CID 7139
(3-Methoxyphenyl)acetic acid
CID 15719
2,5-Dimethoxyphenylacetic acid
CID 74469
3-(2,3-Dimethoxyphenyl)propanoic acid
CID 314929
2-Methoxyphenylacetic acid
CID 7134
3-(m-Methoxyphenyl)propionic acid
CID 66336
Benzenepropanoic acid, 2,5-dimethoxy-
CID 66343
2-Propanone, 1-(2,5-dimethoxyphenyl)-
CID 268577
Ethyl 2,5-Dihydroxyphenylacetate
CID 297396
Acetic acid, 5-methoxy-m-tolyl-
CID 39879
5-Hydroxybenzofuran-2-one
CID 75898

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid (CID 62802317) is 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid is COc1ccc(OC)c(C(F)(F)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid?
The InChIKey is MXUPBXNWIKOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c1-15-6-3-4-8(16-2)7(5-6)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid?
2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid has a molecular weight of 232.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 62802317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).