(2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol

C13H14FNO3 — CID 66738120

IUPAC(2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2ccc3cc(F)ccc32)C[C@@H]1O
InChIInChI=1S/C13H14FNO3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(17)12(7-16)18-13/h1-5,11-13,16-17H,6-7H2/t11-,12+,13+/m0/s1
InChIKeyYLNKJTGSAKAOMB-YNEHKIRRSA-N
MW251.26 g/mol
LogP1.42
Rot. Bonds2

About (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 66738120) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID66738120
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name(2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2ccc3cc(F)ccc32)C[C@@H]1O
InChIInChI=1S/C13H14FNO3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(17)12(7-16)18-13/h1-5,11-13,16-17H,6-7H2/t11-,12+,13+/m0/s1
InChIKeyYLNKJTGSAKAOMB-YNEHKIRRSA-N
XLogP1.42
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 66738120) is (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](n2ccc3cc(F)ccc32)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is YLNKJTGSAKAOMB-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-9-1-2-10-8(5-9)3-4-15(10)13-6-11(17)12(7-16)18-13/h1-5,11-13,16-17H,6-7H2/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 251.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(5-fluoroindol-1-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 66738120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).