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

C9H11BrFNO — CID 130982390

IUPAC(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H11BrFNO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyUMGGLXQSZJPMAZ-CDUCUWFYSA-N
MW248.09 g/mol
LogP1.97
Rot. Bonds2

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

(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol (PubChem CID 130982390) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
PubChem CID130982390
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)cc(Br)c1
InChIInChI=1S/C9H11BrFNO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyUMGGLXQSZJPMAZ-CDUCUWFYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
CID 131150416
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171262344
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
CID 171267775
3-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromobenzonitrile
CID 131067945
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
CID 171267777
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol (CID 130982390) is (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol is C[C@H](O)[C@H](N)c1cc(F)cc(Br)c1.
What is the InChIKey of (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol?
The InChIKey is UMGGLXQSZJPMAZ-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol?
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol has a molecular weight of 248.09 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol is sourced from PubChem (CID 130982390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).