1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

C11H10BrFO3 — CID 117466689

IUPAC1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Br)cc(F)c2O)CCC1
InChIInChI=1S/C11H10BrFO3/c12-6-4-7(9(14)8(13)5-6)11(10(15)16)2-1-3-11/h4-5,14H,1-3H2,(H,15,16)
InChIKeyUVQAMJFYWSGYML-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.80
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117466689) has the molecular formula C11H10BrFO3 and a molecular weight of 289.10 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117466689
Molecular FormulaC11H10BrFO3
Molecular Weight289.10 g/mol
Exact Mass287.98
IUPAC Name1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Br)cc(F)c2O)CCC1
InChIInChI=1S/C11H10BrFO3/c12-6-4-7(9(14)8(13)5-6)11(10(15)16)2-1-3-11/h4-5,14H,1-3H2,(H,15,16)
InChIKeyUVQAMJFYWSGYML-UHFFFAOYSA-N
XLogP2.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-4-bromo-6-fluorophenol
CID 117403842
1-(3-bromo-2,5-difluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117492029
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
1-(5-bromo-3-ethyl-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117458815
1-(2,3,5-trifluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117367168
1-(5-bromo-2,3-difluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117492028
1-(3-bromo-2-fluoro-5,6-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117490227
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84795239
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(3-bromo-2-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466688

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid (CID 117466689) is 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc(Br)cc(F)c2O)CCC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is UVQAMJFYWSGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO3/c12-6-4-7(9(14)8(13)5-6)11(10(15)16)2-1-3-11/h4-5,14H,1-3H2,(H,15,16).
What are the key properties of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 289.10 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117466689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).