(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol

C9H10BrFO — CID 118056013

IUPAC(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
SMILESC[C@H](CO)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H10BrFO/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeyYIYRQRPKPJHGGD-ZCFIWIBFSA-N
MW233.08 g/mol
LogP2.68
Rot. Bonds2

About (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol

(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol (PubChem CID 118056013) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
PubChem CID118056013
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
SMILESC[C@H](CO)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H10BrFO/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeyYIYRQRPKPJHGGD-ZCFIWIBFSA-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-3-butan-2-yl-5-fluorobenzene
CID 130384481
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(2S)-2-[1-(3-bromo-5-fluorophenyl)propylamino]propan-1-ol
CID 103921760
(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
CID 137495631
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
(3S)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247688
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol (CID 118056013) is (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol is C[C@H](CO)c1cc(F)cc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol?
The InChIKey is YIYRQRPKPJHGGD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2-4,6,12H,5H2,1H3/t6-/m1/s1.
What are the key properties of (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol?
(2S)-2-(3-bromo-5-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 (2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 118056013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).