1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

C11H10ClFO3 — CID 117363611

IUPAC1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(Cl)ccc(F)c2O)CCC1
InChIInChI=1S/C11H10ClFO3/c12-6-2-3-7(13)9(14)8(6)11(10(15)16)4-1-5-11/h2-3,14H,1,4-5H2,(H,15,16)
InChIKeyYMVVBHYFVYQPNU-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.69
Rot. Bonds2

About 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117363611) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117363611
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(Cl)ccc(F)c2O)CCC1
InChIInChI=1S/C11H10ClFO3/c12-6-2-3-7(13)9(14)8(6)11(10(15)16)4-1-5-11/h2-3,14H,1,4-5H2,(H,15,16)
InChIKeyYMVVBHYFVYQPNU-UHFFFAOYSA-N
XLogP2.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,5-trifluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117367168
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117321649
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
CID 117467914
1-(3-bromo-2,5-difluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117492029
1-(5-chloro-2,3-dihydroxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117429684
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(6-chloro-2-fluoro-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117462402

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid (CID 117363611) is 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2c(Cl)ccc(F)c2O)CCC1.
What is the InChIKey of 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is YMVVBHYFVYQPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c12-6-2-3-7(13)9(14)8(6)11(10(15)16)4-1-5-11/h2-3,14H,1,4-5H2,(H,15,16).
What are the key properties of 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117363611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).