1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid

C11H10F2O4 — CID 117361873

IUPAC1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)c(O)cc(O)c2F)CCC1
InChIInChI=1S/C11H10F2O4/c12-8-5(14)4-6(15)9(13)7(8)11(10(16)17)2-1-3-11/h4,14-15H,1-3H2,(H,16,17)
InChIKeyHQXYQSJRTWGEJF-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.88
Rot. Bonds2

About 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid

1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117361873) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117361873
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)c(O)cc(O)c2F)CCC1
InChIInChI=1S/C11H10F2O4/c12-8-5(14)4-6(15)9(13)7(8)11(10(16)17)2-1-3-11/h4,14-15H,1-3H2,(H,16,17)
InChIKeyHQXYQSJRTWGEJF-UHFFFAOYSA-N
XLogP1.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,5-trifluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117367168
1-(3-bromo-2-fluoro-5,6-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117490227
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutane-1-carboxylic acid
CID 117114345
1-(6-fluoro-7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxylic acid
CID 117477459
1-(3-bromo-2,5-difluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117492029
1-(5-bromo-2,3-difluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117492028
4-(1-carboxycyclobutyl)-3,5-difluorobenzoic acid
CID 117393397
1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid
CID 117114219
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117321649
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid (CID 117361873) is 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2c(F)c(O)cc(O)c2F)CCC1.
What is the InChIKey of 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is HQXYQSJRTWGEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c12-8-5(14)4-6(15)9(13)7(8)11(10(16)17)2-1-3-11/h4,14-15H,1-3H2,(H,16,17).
What are the key properties of 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid?
1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 244.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117361873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).