1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid

C10H7BrF2O2 — CID 117443504

IUPAC1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(F)cc2Br)CC1
InChIInChI=1S/C10H7BrF2O2/c11-6-4-8(13)7(12)3-5(6)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyCHZHTSMZOCRVOQ-UHFFFAOYSA-N
MW277.06 g/mol
LogP2.84
Rot. Bonds2

About 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid

1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 117443504) has the molecular formula C10H7BrF2O2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID117443504
Molecular FormulaC10H7BrF2O2
Molecular Weight277.06 g/mol
Exact Mass275.96
IUPAC Name1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(F)cc2Br)CC1
InChIInChI=1S/C10H7BrF2O2/c11-6-4-8(13)7(12)3-5(6)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyCHZHTSMZOCRVOQ-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,5-trifluoro-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84795239
1-(3-bromo-2,5-difluoro-6-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117472822
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 117434862
1-(5-bromo-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117466689
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
1-(5-bromo-2,3-difluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117492028

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid (CID 117443504) is 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(F)c(F)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CHZHTSMZOCRVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O2/c11-6-4-8(13)7(12)3-5(6)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15).
What are the key properties of 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid?
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 277.06 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117443504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).