4-(3-bromo-2-fluorophenyl)butanoic acid

C10H10BrFO2 — CID 83735555

IUPAC4-(3-bromo-2-fluorophenyl)butanoic acid
SMILESO=C(O)CCCc1cccc(Br)c1F
InChIInChI=1S/C10H10BrFO2/c11-8-5-1-3-7(10(8)12)4-2-6-9(13)14/h1,3,5H,2,4,6H2,(H,13,14)
InChIKeyBZYBRJHWOBCSNI-UHFFFAOYSA-N
MW261.09 g/mol
LogP3.00
Rot. Bonds4

About 4-(3-bromo-2-fluorophenyl)butanoic acid

4-(3-bromo-2-fluorophenyl)butanoic acid (PubChem CID 83735555) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-(3-bromo-2-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-(3-bromo-2-fluorophenyl)butanoic acid
PubChem CID83735555
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name4-(3-bromo-2-fluorophenyl)butanoic acid
SMILESO=C(O)CCCc1cccc(Br)c1F
InChIInChI=1S/C10H10BrFO2/c11-8-5-1-3-7(10(8)12)4-2-6-9(13)14/h1,3,5H,2,4,6H2,(H,13,14)
InChIKeyBZYBRJHWOBCSNI-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-difluorophenyl)butanoic acid
CID 59862325
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(4-bromo-2-chloro-3-fluorophenyl)butanoic acid
CID 117476280
4-[2-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 117378294
2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
4-(2-bromo-4-chloro-3-fluorophenyl)butanoic acid
CID 117476279
1-bromo-2-fluoro-3-octylbenzene
CID 155052803
4-(5-bromo-2,3-difluoro-4-hydroxyphenyl)butanoic acid
CID 117475596
4-[3-fluoro-2-(fluoromethyl)phenyl]butanoic acid
CID 117305173
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904474

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluorophenyl)butanoic acid?
The IUPAC name of 4-(3-bromo-2-fluorophenyl)butanoic acid (CID 83735555) is 4-(3-bromo-2-fluorophenyl)butanoic acid.
What is the SMILES notation for 4-(3-bromo-2-fluorophenyl)butanoic acid?
The canonical SMILES for 4-(3-bromo-2-fluorophenyl)butanoic acid is O=C(O)CCCc1cccc(Br)c1F.
What is the InChIKey of 4-(3-bromo-2-fluorophenyl)butanoic acid?
The InChIKey is BZYBRJHWOBCSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-8-5-1-3-7(10(8)12)4-2-6-9(13)14/h1,3,5H,2,4,6H2,(H,13,14).
What are the key properties of 4-(3-bromo-2-fluorophenyl)butanoic acid?
4-(3-bromo-2-fluorophenyl)butanoic acid has a molecular weight of 261.09 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluorophenyl)butanoic acid is sourced from PubChem (CID 83735555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).