1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid

C11H10BrFO2 — CID 66023748

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C11H10BrFO2/c12-8-1-2-9(13)7(5-8)6-11(3-4-11)10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyGLOLZCIZIXUWBJ-UHFFFAOYSA-N
MW273.10 g/mol
LogP3.00
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid

1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 66023748) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID66023748
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C11H10BrFO2/c12-8-1-2-9(13)7(5-8)6-11(3-4-11)10(14)15/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyGLOLZCIZIXUWBJ-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178564
3-[(5-bromo-2-fluorophenyl)methyl]oxetane-3-carboxylic acid
CID 116930153
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393710
1-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424139
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
1-[(5-bromo-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116928808
1-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243086
tert-butyl 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylate
CID 58136309
1-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65195023
4-[(2,5-difluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178571
1-[(4-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65425496
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid (CID 66023748) is 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is GLOLZCIZIXUWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-8-1-2-9(13)7(5-8)6-11(3-4-11)10(14)15/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid?
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 273.10 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66023748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).