2-(4-bromophenyl)-1-fluoroethanol

C8H8BrFO — CID 163366125

IUPAC2-(4-bromophenyl)-1-fluoroethanol
SMILESOC(F)Cc1ccc(Br)cc1
InChIInChI=1S/C8H8BrFO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8,11H,5H2
InChIKeyPOWLTVVHYQLWMI-UHFFFAOYSA-N
MW219.05 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-bromophenyl)-1-fluoroethanol

2-(4-bromophenyl)-1-fluoroethanol (PubChem CID 163366125) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-fluoroethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-fluoroethanol
PubChem CID163366125
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name2-(4-bromophenyl)-1-fluoroethanol
SMILESOC(F)Cc1ccc(Br)cc1
InChIInChI=1S/C8H8BrFO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8,11H,5H2
InChIKeyPOWLTVVHYQLWMI-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
(1R)-1-fluoro-2-phenylethanol
CID 163366132
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
2-(4-bromophenyl)-1-piperidin-4-ylethanol
CID 79016497
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63518260
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-fluoroethanol?
The IUPAC name of 2-(4-bromophenyl)-1-fluoroethanol (CID 163366125) is 2-(4-bromophenyl)-1-fluoroethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-fluoroethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-fluoroethanol is OC(F)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-fluoroethanol?
The InChIKey is POWLTVVHYQLWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,8,11H,5H2.
What are the key properties of 2-(4-bromophenyl)-1-fluoroethanol?
2-(4-bromophenyl)-1-fluoroethanol has a molecular weight of 219.05 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-fluoroethanol is sourced from PubChem (CID 163366125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).