1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid

C11H10F2O3 — CID 117328262

IUPAC1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(F)c2F)CCC1
InChIInChI=1S/C11H10F2O3/c12-8-6(2-3-7(14)9(8)13)11(10(15)16)4-1-5-11/h2-3,14H,1,4-5H2,(H,15,16)
InChIKeyFGTKCGFDYQPZLT-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.18
Rot. Bonds2

About 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid

1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117328262) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117328262
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(F)c2F)CCC1
InChIInChI=1S/C11H10F2O3/c12-8-6(2-3-7(14)9(8)13)11(10(15)16)4-1-5-11/h2-3,14H,1,4-5H2,(H,15,16)
InChIKeyFGTKCGFDYQPZLT-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466688
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclobutane-1-carboxylic acid
CID 117465574
1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352800
1-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117437970
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117361873
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-(3-fluoro-2-hydroxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117299936
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid (CID 117328262) is 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(O)c(F)c2F)CCC1.
What is the InChIKey of 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is FGTKCGFDYQPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-8-6(2-3-7(14)9(8)13)11(10(15)16)4-1-5-11/h2-3,14H,1,4-5H2,(H,15,16).
What are the key properties of 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid?
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 228.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117328262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).