2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid

C10H9F3O2 — CID 83402908

IUPAC2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
SMILESCC(C)(C(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H9F3O2/c1-10(2,9(14)15)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,15)
InChIKeyNYOTWYPPFLEAGG-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid

2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid (PubChem CID 83402908) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
PubChem CID83402908
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
SMILESCC(C)(C(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H9F3O2/c1-10(2,9(14)15)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,15)
InChIKeyNYOTWYPPFLEAGG-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
CID 117049910
bis[2-(2,4,6-trifluorophenyl)propan-2-yl] carbonate
CID 87292552
2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid
CID 150151547
2-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 84733376
2-methyl-2-[2-(2,4,6-trifluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 107920304
2-tert-butyl-3,5-difluorophenol
CID 118328413
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
acetic acid;1,3,5-trifluorobenzene
CID 162178148
2-(2-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 62394143
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
2-[3,5-bis(4-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 130367899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid (CID 83402908) is 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid is CC(C)(C(=O)O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid?
The InChIKey is NYOTWYPPFLEAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-10(2,9(14)15)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid?
2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid has a molecular weight of 218.17 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid is sourced from PubChem (CID 83402908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).