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

C11H13FO3 — CID 174629306

IUPAC2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol
SMILESOCCO[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H13FO3/c12-9-2-3-10-8(7-9)1-4-11(15-10)14-6-5-13/h2-3,7,11,13H,1,4-6H2/t11-/m1/s1
InChIKeyGMBXSJHUZKIZPM-LLVKDONJSA-N
MW212.22 g/mol
LogP1.49
Rot. Bonds3

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

2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol (PubChem CID 174629306) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol
PubChem CID174629306
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol
SMILESOCCO[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H13FO3/c12-9-2-3-10-8(7-9)1-4-11(15-10)14-6-5-13/h2-3,7,11,13H,1,4-6H2/t11-/m1/s1
InChIKeyGMBXSJHUZKIZPM-LLVKDONJSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 69246193
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
ethyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 71249243
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);sulfane
CID 169428735
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol?
The IUPAC name of 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol (CID 174629306) is 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol is OCCO[C@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol?
The InChIKey is GMBXSJHUZKIZPM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FO3/c12-9-2-3-10-8(7-9)1-4-11(15-10)14-6-5-13/h2-3,7,11,13H,1,4-6H2/t11-/m1/s1.
What are the key properties of 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol?
2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol has a molecular weight of 212.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol is sourced from PubChem (CID 174629306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).