2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid

C11H9BrF2O2 — CID 175669167

IUPAC2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1cc(F)c(F)cc1Br)C1CC1
InChIInChI=1S/C11H9BrF2O2/c12-7-4-9(14)8(13)3-6(7)10(11(15)16)5-1-2-5/h3-5,10H,1-2H2,(H,15,16)
InChIKeyJZSPWRYXEUJRJZ-UHFFFAOYSA-N
MW291.09 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid

2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid (PubChem CID 175669167) has the molecular formula C11H9BrF2O2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
PubChem CID175669167
Molecular FormulaC11H9BrF2O2
Molecular Weight291.09 g/mol
Exact Mass289.98
IUPAC Name2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
SMILESO=C(O)C(c1cc(F)c(F)cc1Br)C1CC1
InChIInChI=1S/C11H9BrF2O2/c12-7-4-9(14)8(13)3-6(7)10(11(15)16)5-1-2-5/h3-5,10H,1-2H2,(H,15,16)
InChIKeyJZSPWRYXEUJRJZ-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 53.31
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

2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
CID 175669148
2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
CID 175668562
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
2-(5-bromo-3-fluoro-2-pyridinyl)-2-cyclopropylacetic acid
CID 175669184
(2R)-2-(4-bromo-3-fluorophenyl)-2-cyclobutylacetic acid
CID 125466620
2-(2-bromo-4,5-difluorophenyl)butanoic acid
CID 130134766
2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
CID 82664923
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
(3R)-3-amino-3-(2-bromo-4,5-difluorophenyl)propanoic acid
CID 131501143
3-amino-3-(2-bromo-4,5-difluorophenyl)propanoic acid
CID 117449258

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid (CID 175669167) is 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid is O=C(O)C(c1cc(F)c(F)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid?
The InChIKey is JZSPWRYXEUJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2O2/c12-7-4-9(14)8(13)3-6(7)10(11(15)16)5-1-2-5/h3-5,10H,1-2H2,(H,15,16).
What are the key properties of 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid?
2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid has a molecular weight of 291.09 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid is sourced from PubChem (CID 175669167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).