(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol

C10H12BrFO — CID 103920530

IUPAC(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
SMILESCCC[C@H](O)c1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFO/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h4-6,10,13H,2-3H2,1H3/t10-/m0/s1
InChIKeyHBDDRQLBAATCRD-JTQLQIEISA-N
MW247.11 g/mol
LogP3.42
Rot. Bonds3

About (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol

(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol (PubChem CID 103920530) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
PubChem CID103920530
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
SMILESCCC[C@H](O)c1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFO/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h4-6,10,13H,2-3H2,1H3/t10-/m0/s1
InChIKeyHBDDRQLBAATCRD-JTQLQIEISA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379
2-(2-bromo-4-fluorophenyl)pentanenitrile
CID 174591247
ethyl 2-[(2-bromo-4-fluorophenyl)-hydroxymethyl]pentanoate
CID 114060845
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
4-bromo-1-(2-bromo-4-fluorophenyl)butane-1,2-diol
CID 171893090

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol?
The IUPAC name of (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol (CID 103920530) is (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol.
What is the SMILES notation for (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol?
The canonical SMILES for (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol is CCC[C@H](O)c1ccc(F)cc1Br.
What is the InChIKey of (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol?
The InChIKey is HBDDRQLBAATCRD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12BrFO/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h4-6,10,13H,2-3H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol?
(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol has a molecular weight of 247.11 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 103920530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).