1-bromo-1-(3-fluorophenyl)ethanol

C8H8BrFO — CID 143635660

IUPAC1-bromo-1-(3-fluorophenyl)ethanol
SMILESCC(O)(Br)c1cccc(F)c1
InChIInChI=1S/C8H8BrFO/c1-8(9,11)6-3-2-4-7(10)5-6/h2-5,11H,1H3
InChIKeyALOVPZGBEZREOL-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.39
Rot. Bonds1

About 1-bromo-1-(3-fluorophenyl)ethanol

1-bromo-1-(3-fluorophenyl)ethanol (PubChem CID 143635660) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 1-bromo-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-bromo-1-(3-fluorophenyl)ethanol
PubChem CID143635660
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name1-bromo-1-(3-fluorophenyl)ethanol
SMILESCC(O)(Br)c1cccc(F)c1
InChIInChI=1S/C8H8BrFO/c1-8(9,11)6-3-2-4-7(10)5-6/h2-5,11H,1H3
InChIKeyALOVPZGBEZREOL-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951
1-fluoro-3-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 54498012
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol
CID 173133106
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-bromo-1-(3-fluorophenyl)ethanol (CID 143635660) is 1-bromo-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-bromo-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-bromo-1-(3-fluorophenyl)ethanol is CC(O)(Br)c1cccc(F)c1.
What is the InChIKey of 1-bromo-1-(3-fluorophenyl)ethanol?
The InChIKey is ALOVPZGBEZREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-8(9,11)6-3-2-4-7(10)5-6/h2-5,11H,1H3.
What are the key properties of 1-bromo-1-(3-fluorophenyl)ethanol?
1-bromo-1-(3-fluorophenyl)ethanol has a molecular weight of 219.05 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 143635660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).