(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol

C9H11F2NO — CID 28743561

IUPAC(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
SMILESC[C@H](N)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C9H11F2NO/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyPDLBZIPDMSHBFD-CDUCUWFYSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds2

About (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol

(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol (PubChem CID 28743561) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
PubChem CID28743561
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
SMILESC[C@H](N)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C9H11F2NO/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyPDLBZIPDMSHBFD-CDUCUWFYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
1-(2,6-difluorophenyl)ethanol
CID 5012075
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
CID 84669941
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1R,2S)-1-amino-1-(2,6-difluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171262192
1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
CID 115799713

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol (CID 28743561) is (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol is C[C@H](N)[C@H](O)c1c(F)cccc1F.
What is the InChIKey of (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol?
The InChIKey is PDLBZIPDMSHBFD-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12)9(13)8-6(10)3-2-4-7(8)11/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol?
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol has a molecular weight of 187.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 28743561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).