(2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol

C9H11F2NO2 — CID 10954638

IUPAC(2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol
SMILESC[C@H](O)COc1c(N)ccc(F)c1F
InChIInChI=1S/C9H11F2NO2/c1-5(13)4-14-9-7(12)3-2-6(10)8(9)11/h2-3,5,13H,4,12H2,1H3/t5-/m0/s1
InChIKeyLCYRLDJUOZDTQF-YFKPBYRVSA-N
MW203.19 g/mol
LogP1.31
Rot. Bonds3

About (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol

(2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol (PubChem CID 10954638) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol
PubChem CID10954638
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol
SMILESC[C@H](O)COc1c(N)ccc(F)c1F
InChIInChI=1S/C9H11F2NO2/c1-5(13)4-14-9-7(12)3-2-6(10)8(9)11/h2-3,5,13H,4,12H2,1H3/t5-/m0/s1
InChIKeyLCYRLDJUOZDTQF-YFKPBYRVSA-N
XLogP1.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol (CID 10954638) is (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol is C[C@H](O)COc1c(N)ccc(F)c1F.
What is the InChIKey of (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol?
The InChIKey is LCYRLDJUOZDTQF-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-5(13)4-14-9-7(12)3-2-6(10)8(9)11/h2-3,5,13H,4,12H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol?
(2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol has a molecular weight of 203.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-amino-2,3-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 10954638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).