(1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol

C11H14FNO2 — CID 11458498

IUPAC(1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H14FNO2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,9,11,14H,1,3,6,13H2/t9-,11+/m1/s1
InChIKeyXEWOKAJCYBGRTK-KOLCDFICSA-N
MW211.24 g/mol
LogP0.84
Rot. Bonds2

About (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol

(1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol (PubChem CID 11458498) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
PubChem CID11458498
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
SMILESNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H14FNO2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,9,11,14H,1,3,6,13H2/t9-,11+/m1/s1
InChIKeyXEWOKAJCYBGRTK-KOLCDFICSA-N
XLogP0.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
The IUPAC name of (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol (CID 11458498) is (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol is NC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
The InChIKey is XEWOKAJCYBGRTK-KOLCDFICSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,9,11,14H,1,3,6,13H2/t9-,11+/m1/s1.
What are the key properties of (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol?
(1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol has a molecular weight of 211.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol is sourced from PubChem (CID 11458498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).