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

C11H11FO3 — CID 71249247

IUPAC1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
SMILESO=C(CO)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO3/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,11,13H,1,3,6H2/t11-/m1/s1
InChIKeyFEHSSLNWWUGFHD-LLVKDONJSA-N
MW210.20 g/mol
LogP1.08
Rot. Bonds2

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

1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone (PubChem CID 71249247) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
PubChem CID71249247
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
SMILESO=C(CO)[C@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C11H11FO3/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,11,13H,1,3,6H2/t11-/m1/s1
InChIKeyFEHSSLNWWUGFHD-LLVKDONJSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
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
prop-2-enyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 68654698
2-[dimethyl(oxo)-λ6-sulfanylidene]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 59245322
2,2-dimethylpropanoyl (2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate
CID 118312008
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide
CID 69467319
2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 69246193
2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol
CID 174629306
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083
2-[benzyl-[5-(5-fluoro-2-hydroxyphenyl)pentyl]amino]-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanone
CID 145124833
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone (CID 71249247) is 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone is O=C(CO)[C@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone?
The InChIKey is FEHSSLNWWUGFHD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11FO3/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,11,13H,1,3,6H2/t11-/m1/s1.
What are the key properties of 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone?
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone has a molecular weight of 210.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 71249247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).