3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid

C11H11FO3 — CID 105463774

IUPAC3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(O)c2)CC(F)C1
InChIInChI=1S/C11H11FO3/c12-8-5-11(6-8,10(14)15)7-2-1-3-9(13)4-7/h1-4,8,13H,5-6H2,(H,14,15)
InChIKeyXIAJMJVCNJXUJN-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.85
Rot. Bonds2

About 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid

3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 105463774) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID105463774
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(O)c2)CC(F)C1
InChIInChI=1S/C11H11FO3/c12-8-5-11(6-8,10(14)15)7-2-1-3-9(13)4-7/h1-4,8,13H,5-6H2,(H,14,15)
InChIKeyXIAJMJVCNJXUJN-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid (CID 105463774) is 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(O)c2)CC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is XIAJMJVCNJXUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-8-5-11(6-8,10(14)15)7-2-1-3-9(13)4-7/h1-4,8,13H,5-6H2,(H,14,15).
What are the key properties of 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid?
3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 210.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 105463774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).