2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid

C11H9BrF2O2 — CID 84814924

IUPAC2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrF2O2/c12-6-3-7(13)10(8(14)4-6)11(1-2-11)5-9(15)16/h3-4H,1-2,5H2,(H,15,16)
InChIKeyYWXDBJMCRDKJFL-UHFFFAOYSA-N
MW291.09 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid

2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid (PubChem CID 84814924) has the molecular formula C11H9BrF2O2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid
PubChem CID84814924
Molecular FormulaC11H9BrF2O2
Molecular Weight291.09 g/mol
Exact Mass289.98
IUPAC Name2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrF2O2/c12-6-3-7(13)10(8(14)4-6)11(1-2-11)5-9(15)16/h3-4H,1-2,5H2,(H,15,16)
InChIKeyYWXDBJMCRDKJFL-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,3,6-trifluorophenyl)cyclopropyl]acetic acid
CID 117331938
2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid
CID 117361874
2-[1-(2,3,4,5,6-pentafluorophenyl)cyclopropyl]acetic acid
CID 117419143
2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
CID 117400294
2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84790843
2-[1-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]acetic acid
CID 117424026
2-[1-(3-bromo-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117487851
2-[1-(2,6-difluoro-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117399171
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117428689

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid (CID 84814924) is 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid is O=C(O)CC1(c2c(F)cc(Br)cc2F)CC1.
What is the InChIKey of 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid?
The InChIKey is YWXDBJMCRDKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2O2/c12-6-3-7(13)10(8(14)4-6)11(1-2-11)5-9(15)16/h3-4H,1-2,5H2,(H,15,16).
What are the key properties of 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid?
2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid has a molecular weight of 291.09 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84814924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).