3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid

C15H19FO3 — CID 116872182

IUPAC3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
SMILESCc1cc(C2(CC(C)(C)C(=O)O)COC2)ccc1F
InChIInChI=1S/C15H19FO3/c1-10-6-11(4-5-12(10)16)15(8-19-9-15)7-14(2,3)13(17)18/h4-6H,7-9H2,1-3H3,(H,17,18)
InChIKeyZYPIKWSTNXKBFM-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.90
Rot. Bonds4

About 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid

3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid (PubChem CID 116872182) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
PubChem CID116872182
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid
SMILESCc1cc(C2(CC(C)(C)C(=O)O)COC2)ccc1F
InChIInChI=1S/C15H19FO3/c1-10-6-11(4-5-12(10)16)15(8-19-9-15)7-14(2,3)13(17)18/h4-6H,7-9H2,1-3H3,(H,17,18)
InChIKeyZYPIKWSTNXKBFM-UHFFFAOYSA-N
XLogP2.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
2-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869440
3-(4-fluoro-3-methylphenyl)oxetane-3-thiol
CID 116872842
3-[3-(5-bromothiophen-2-yl)oxetan-3-yl]-2,2-dimethylpropanoic acid
CID 116872183
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
methyl 3-[(4-fluoro-3-methylanilino)methyl]oxetane-3-carboxylate
CID 115248582
4-(3-tert-butyloxetan-3-yl)benzoic acid
CID 116872238
[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
CID 117035245
3-[3-(3-chloro-4-fluorophenyl)oxetan-3-yl]propan-1-ol
CID 116871701
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871305
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid (CID 116872182) is 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid is Cc1cc(C2(CC(C)(C)C(=O)O)COC2)ccc1F.
What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid?
The InChIKey is ZYPIKWSTNXKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-10-6-11(4-5-12(10)16)15(8-19-9-15)7-14(2,3)13(17)18/h4-6H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid?
3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid has a molecular weight of 266.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 116872182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).