[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

C11H13FO3 — CID 67934594

IUPAC[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOC[C@H]1Cc2cccc(F)c2O[C@@H]1CO
InChIInChI=1S/C11H13FO3/c12-9-3-1-2-7-4-8(5-13)10(6-14)15-11(7)9/h1-3,8,10,13-14H,4-6H2/t8-,10-/m1/s1
InChIKeyMRMSAQKIDKFSGA-PSASIEDQSA-N
MW212.22 g/mol
LogP0.73
Rot. Bonds2

About [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol

[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (PubChem CID 67934594) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
PubChem CID67934594
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESOC[C@H]1Cc2cccc(F)c2O[C@@H]1CO
InChIInChI=1S/C11H13FO3/c12-9-3-1-2-7-4-8(5-13)10(6-14)15-11(7)9/h1-3,8,10,13-14H,4-6H2/t8-,10-/m1/s1
InChIKeyMRMSAQKIDKFSGA-PSASIEDQSA-N
XLogP0.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The IUPAC name of [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol (CID 67934594) is [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol.
What is the SMILES notation for [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The canonical SMILES for [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is OC[C@H]1Cc2cccc(F)c2O[C@@H]1CO.
What is the InChIKey of [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
The InChIKey is MRMSAQKIDKFSGA-PSASIEDQSA-N. The full InChI is InChI=1S/C11H13FO3/c12-9-3-1-2-7-4-8(5-13)10(6-14)15-11(7)9/h1-3,8,10,13-14H,4-6H2/t8-,10-/m1/s1.
What are the key properties of [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol?
[(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol has a molecular weight of 212.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-8-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-3-yl]methanol is sourced from PubChem (CID 67934594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).