(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol

C9H11BrFNO — CID 130636781

IUPAC(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1c(F)cccc1Br
InChIInChI=1S/C9H11BrFNO/c1-5(13)9(12)8-6(10)3-2-4-7(8)11/h2-5,9,13H,12H2,1H3/t5-,9+/m1/s1
InChIKeyUIALHNPUUFIPPN-ANLVUFKYSA-N
MW248.09 g/mol
LogP1.97
Rot. Bonds2

About (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol

(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol (PubChem CID 130636781) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
PubChem CID130636781
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@H](N)c1c(F)cccc1Br
InChIInChI=1S/C9H11BrFNO/c1-5(13)9(12)8-6(10)3-2-4-7(8)11/h2-5,9,13H,12H2,1H3/t5-,9+/m1/s1
InChIKeyUIALHNPUUFIPPN-ANLVUFKYSA-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

(1R,2S)-1-amino-1-(2-bromo-6-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171261980
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130901944

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol (CID 130636781) is (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol is C[C@@H](O)[C@H](N)c1c(F)cccc1Br.
What is the InChIKey of (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol?
The InChIKey is UIALHNPUUFIPPN-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(13)9(12)8-6(10)3-2-4-7(8)11/h2-5,9,13H,12H2,1H3/t5-,9+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol?
(1R,2R)-1-amino-1-(2-bromo-6-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,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol is sourced from PubChem (CID 130636781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).