1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid

C11H10BrFO2 — CID 117434876

IUPAC1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2Br)CCC1
InChIInChI=1S/C11H10BrFO2/c12-9-3-2-7(13)6-8(9)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyNSCOVMQHFJCTLE-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.09
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid

1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid (PubChem CID 117434876) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
PubChem CID117434876
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2Br)CCC1
InChIInChI=1S/C11H10BrFO2/c12-9-3-2-7(13)6-8(9)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyNSCOVMQHFJCTLE-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117444326
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
1-(3-bromo-2-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466688
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid (CID 117434876) is 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc(F)ccc2Br)CCC1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is NSCOVMQHFJCTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-9-3-2-7(13)6-8(9)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15).
What are the key properties of 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid?
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 273.10 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117434876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).