2-(4-bromo-3-fluorophenyl)propan-1-ol

C9H10BrFO — CID 117337341

IUPAC2-(4-bromo-3-fluorophenyl)propan-1-ol
SMILESCC(CO)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H10BrFO/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3
InChIKeyXWQAOCFFEFGRPU-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.68
Rot. Bonds2

About 2-(4-bromo-3-fluorophenyl)propan-1-ol

2-(4-bromo-3-fluorophenyl)propan-1-ol (PubChem CID 117337341) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)propan-1-ol
PubChem CID117337341
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name2-(4-bromo-3-fluorophenyl)propan-1-ol
SMILESCC(CO)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H10BrFO/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3
InChIKeyXWQAOCFFEFGRPU-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
2-[4-(4-bromo-2-fluorophenyl)-3-fluorophenyl]propan-1-ol
CID 21406772
2-[1-(4-bromo-3-fluorophenyl)ethylamino]propane-1,3-diol
CID 115733556
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)propan-1-ol (CID 117337341) is 2-(4-bromo-3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)propan-1-ol is CC(CO)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)propan-1-ol?
The InChIKey is XWQAOCFFEFGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-6(5-12)7-2-3-8(10)9(11)4-7/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)propan-1-ol?
2-(4-bromo-3-fluorophenyl)propan-1-ol has a molecular weight of 233.08 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117337341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).