3-(5-bromo-2-fluorophenoxy)butan-2-ol

C10H12BrFO2 — CID 115919572

IUPAC3-(5-bromo-2-fluorophenoxy)butan-2-ol
SMILESCC(O)C(C)Oc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-6(13)7(2)14-10-5-8(11)3-4-9(10)12/h3-7,13H,1-2H3
InChIKeyQLTBEHSXPINHCW-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.74
Rot. Bonds3

About 3-(5-bromo-2-fluorophenoxy)butan-2-ol

3-(5-bromo-2-fluorophenoxy)butan-2-ol (PubChem CID 115919572) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenoxy)butan-2-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenoxy)butan-2-ol
PubChem CID115919572
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name3-(5-bromo-2-fluorophenoxy)butan-2-ol
SMILESCC(O)C(C)Oc1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-6(13)7(2)14-10-5-8(11)3-4-9(10)12/h3-7,13H,1-2H3
InChIKeyQLTBEHSXPINHCW-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-fluorophenoxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid
CID 114671590
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 104940754
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenoxy)butan-2-ol?
The IUPAC name of 3-(5-bromo-2-fluorophenoxy)butan-2-ol (CID 115919572) is 3-(5-bromo-2-fluorophenoxy)butan-2-ol.
What is the SMILES notation for 3-(5-bromo-2-fluorophenoxy)butan-2-ol?
The canonical SMILES for 3-(5-bromo-2-fluorophenoxy)butan-2-ol is CC(O)C(C)Oc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenoxy)butan-2-ol?
The InChIKey is QLTBEHSXPINHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-6(13)7(2)14-10-5-8(11)3-4-9(10)12/h3-7,13H,1-2H3.
What are the key properties of 3-(5-bromo-2-fluorophenoxy)butan-2-ol?
3-(5-bromo-2-fluorophenoxy)butan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenoxy)butan-2-ol is sourced from PubChem (CID 115919572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).