3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid

C14H19FO2 — CID 117349418

IUPAC3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccccc1C(C)(C)F)C(=O)O
InChIInChI=1S/C14H19FO2/c1-13(2,12(16)17)9-10-7-5-6-8-11(10)14(3,4)15/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyLGRNEFDZWKKZCC-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.54
Rot. Bonds4

About 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid

3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 117349418) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID117349418
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccccc1C(C)(C)F)C(=O)O
InChIInChI=1S/C14H19FO2/c1-13(2,12(16)17)9-10-7-5-6-8-11(10)14(3,4)15/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyLGRNEFDZWKKZCC-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 84677751
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937
3-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-2,2-dimethylpropanoic acid
CID 117433409
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918
3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
3-[2-(1,2-dimethoxyethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117420017
1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
CID 144693394
3-(2-chloro-3-methylphenyl)-2,2-dimethylpropanoic acid
CID 117326132
2,2-dimethyl-3-[4-nitro-2-(trifluoromethyl)phenyl]propanoic acid
CID 90422452
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid (CID 117349418) is 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1ccccc1C(C)(C)F)C(=O)O.
What is the InChIKey of 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is LGRNEFDZWKKZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-13(2,12(16)17)9-10-7-5-6-8-11(10)14(3,4)15/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid?
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 238.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117349418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).