2-(3-bromo-2-fluorophenyl)ethanol

C8H8BrFO — CID 59290439

IUPAC2-(3-bromo-2-fluorophenyl)ethanol
SMILESOCCc1cccc(Br)c1F
InChIInChI=1S/C8H8BrFO/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChIKeyWRSVBQGPSXKJGZ-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-bromo-2-fluorophenyl)ethanol

2-(3-bromo-2-fluorophenyl)ethanol (PubChem CID 59290439) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)ethanol
PubChem CID59290439
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name2-(3-bromo-2-fluorophenyl)ethanol
SMILESOCCc1cccc(Br)c1F
InChIInChI=1S/C8H8BrFO/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChIKeyWRSVBQGPSXKJGZ-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
4-(3-bromo-2-fluorophenyl)butanoic acid
CID 83735555
1-bromo-2-fluoro-3-octylbenzene
CID 155052803
2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
CID 117337325
2-bromo-6-(2-hydroxyethyl)benzonitrile
CID 141425124
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
1-bromo-3-(3-bromo-4,4-dimethylpentyl)-2-fluorobenzene
CID 106646666
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
CID 58419548
3-(3-bromo-2-fluorophenyl)-2,2-difluoropropanoic acid
CID 165497152
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)ethanol (CID 59290439) is 2-(3-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)ethanol is OCCc1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)ethanol?
The InChIKey is WRSVBQGPSXKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2.
What are the key properties of 2-(3-bromo-2-fluorophenyl)ethanol?
2-(3-bromo-2-fluorophenyl)ethanol has a molecular weight of 219.05 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 59290439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).