3-(2,3-difluorophenyl)-2-methylpropanoic acid

C10H10F2O2 — CID 61130457

IUPAC3-(2,3-difluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C10H10F2O2/c1-6(10(13)14)5-7-3-2-4-8(11)9(7)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyTVMRJYHAVDILDA-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.23
Rot. Bonds3

About 3-(2,3-difluorophenyl)-2-methylpropanoic acid

3-(2,3-difluorophenyl)-2-methylpropanoic acid (PubChem CID 61130457) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-2-methylpropanoic acid
PubChem CID61130457
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3-(2,3-difluorophenyl)-2-methylpropanoic acid
SMILESCC(Cc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C10H10F2O2/c1-6(10(13)14)5-7-3-2-4-8(11)9(7)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyTVMRJYHAVDILDA-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-difluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83135397
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
3-[4-[3-(2,3-difluorophenyl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120541021
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
3-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119182
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
3-(3-hydroxy-2-methylsulfanylphenyl)-2-methylpropanoic acid
CID 117325703
3-[2,3-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394679
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,3-difluorophenyl)-2-methylpropanoic acid (CID 61130457) is 3-(2,3-difluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,3-difluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,3-difluorophenyl)-2-methylpropanoic acid is CC(Cc1cccc(F)c1F)C(=O)O.
What is the InChIKey of 3-(2,3-difluorophenyl)-2-methylpropanoic acid?
The InChIKey is TVMRJYHAVDILDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(10(13)14)5-7-3-2-4-8(11)9(7)12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 3-(2,3-difluorophenyl)-2-methylpropanoic acid?
3-(2,3-difluorophenyl)-2-methylpropanoic acid has a molecular weight of 200.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 61130457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).