4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid

C11H12BrFO3 — CID 82972821

IUPAC4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
SMILESCC(O)(CCC(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFO3/c1-11(16,5-4-10(14)15)8-3-2-7(12)6-9(8)13/h2-3,6,16H,4-5H2,1H3,(H,14,15)
InChIKeyHLRISRHNEUWQMF-UHFFFAOYSA-N
MW291.12 g/mol
LogP2.66
Rot. Bonds4

About 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid

4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid (PubChem CID 82972821) has the molecular formula C11H12BrFO3 and a molecular weight of 291.12 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
PubChem CID82972821
Molecular FormulaC11H12BrFO3
Molecular Weight291.12 g/mol
Exact Mass290.00
IUPAC Name4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
SMILESCC(O)(CCC(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFO3/c1-11(16,5-4-10(14)15)8-3-2-7(12)6-9(8)13/h2-3,6,16H,4-5H2,1H3,(H,14,15)
InChIKeyHLRISRHNEUWQMF-UHFFFAOYSA-N
XLogP2.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid
CID 82972862
2-(4-bromo-2-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 82973890
4-(2,4-dihydroxyphenyl)-4-hydroxypentanoic acid
CID 146586928
2-(2,4-difluorophenyl)-2-methylpentanedioic acid
CID 117050132
6-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65289422
6-[(5-bromo-2-fluorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287832
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442
2-(4-bromo-2-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 82966689
ethyl 2-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 117047713
methyl 4-amino-3-(4-bromo-2-fluorophenyl)-3,4-dimethylpentanoate
CID 82973423
methyl 3-(4-bromo-2-fluorophenyl)-2-ethyl-3-hydroxybutanoate
CID 82972914

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid (CID 82972821) is 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid is CC(O)(CCC(=O)O)c1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid?
The InChIKey is HLRISRHNEUWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO3/c1-11(16,5-4-10(14)15)8-3-2-7(12)6-9(8)13/h2-3,6,16H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid?
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid has a molecular weight of 291.12 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid is sourced from PubChem (CID 82972821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).