3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid

C12H15FO2 — CID 84677751

IUPAC3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
SMILESCC(C)(F)c1ccccc1CCC(=O)O
InChIInChI=1S/C12H15FO2/c1-12(2,13)10-6-4-3-5-9(10)7-8-11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyWZFZHGJLDUWQKE-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.91
Rot. Bonds4

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

3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid (PubChem CID 84677751) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
PubChem CID84677751
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
SMILESCC(C)(F)c1ccccc1CCC(=O)O
InChIInChI=1S/C12H15FO2/c1-12(2,13)10-6-4-3-5-9(10)7-8-11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyWZFZHGJLDUWQKE-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2-fluoropropan-2-yl)-2-hydroxyphenyl]propanoic acid
CID 84690441
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
3-(2-fluorophenyl)propanoic acid
CID 2063866
1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
CID 144693394
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
CID 134444752
3-[2-(tert-butylsulfonylamino)phenyl]propanoic acid
CID 107272629
3-[2-methyl-3-(trifluoromethylsulfanyl)phenyl]propanoic acid
CID 135743410
3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid (CID 84677751) is 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid is CC(C)(F)c1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid?
The InChIKey is WZFZHGJLDUWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2,13)10-6-4-3-5-9(10)7-8-11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid?
3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid has a molecular weight of 210.25 g/mol, XLogP of 2.91, 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]propanoic acid is sourced from PubChem (CID 84677751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).