2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid

C10H10F2O2 — CID 39058323

IUPAC2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
SMILESCc1ccc(C(F)(F)C(=O)O)cc1C
InChIInChI=1S/C10H10F2O2/c1-6-3-4-8(5-7(6)2)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeySWSRHSCRJBEGER-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.48
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid

2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid (PubChem CID 39058323) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
PubChem CID39058323
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
SMILESCc1ccc(C(F)(F)C(=O)O)cc1C
InChIInChI=1S/C10H10F2O2/c1-6-3-4-8(5-7(6)2)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeySWSRHSCRJBEGER-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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Related Compounds

2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-(3-tert-butylphenyl)-2,2-difluoroacetic acid
CID 105425731
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
CID 63705027
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
CID 39058327
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14438707
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
2-(2,6-dimethylphenyl)-2,2-difluoroacetic acid
CID 91654271
2,2-difluoro-2-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]acetic acid
CID 162738000
2-(3-bromophenyl)-2,2-difluoroacetic acid
CID 28740330
2-(3,4-dimethylphenyl)-3,3,3-trifluoro-2-methoxypropanoyl chloride
CID 134821286

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid (CID 39058323) is 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid is Cc1ccc(C(F)(F)C(=O)O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid?
The InChIKey is SWSRHSCRJBEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6-3-4-8(5-7(6)2)10(11,12)9(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid?
2-(3,4-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-(3,4-dimethylphenyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 39058323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).