2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid

C14H19FO2 — CID 115042618

IUPAC2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
SMILESCC(C)(C)C(C)(F)c1ccccc1CC(=O)O
InChIInChI=1S/C14H19FO2/c1-13(2,3)14(4,15)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyVWVVWHJYOPBZJZ-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.54
Rot. Bonds3

About 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid

2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid (PubChem CID 115042618) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
PubChem CID115042618
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
SMILESCC(C)(C)C(C)(F)c1ccccc1CC(=O)O
InChIInChI=1S/C14H19FO2/c1-13(2,3)14(4,15)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyVWVVWHJYOPBZJZ-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
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2-[2-(2,2-difluoropropyl)phenyl]acetic acid
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3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
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3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032
2-[2-(1-cyclobutyl-1-hydroxyethyl)phenyl]acetic acid
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3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119346109
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid (CID 115042618) is 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid is CC(C)(C)C(C)(F)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid?
The InChIKey is VWVVWHJYOPBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-13(2,3)14(4,15)11-8-6-5-7-10(11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid?
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid has a molecular weight of 238.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 115042618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).