(2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol

C9H9FO2S — CID 70383715

IUPAC(2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol
SMILESOC[C@H]1Sc2ccc(F)cc2[C@@H]1O
InChIInChI=1S/C9H9FO2S/c10-5-1-2-7-6(3-5)9(12)8(4-11)13-7/h1-3,8-9,11-12H,4H2/t8-,9+/m1/s1
InChIKeyMHYGUTKANWHHAQ-BDAKNGLRSA-N
MW200.23 g/mol
LogP1.33
Rot. Bonds1

About (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol

(2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol (PubChem CID 70383715) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name(2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol
PubChem CID70383715
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name(2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol
SMILESOC[C@H]1Sc2ccc(F)cc2[C@@H]1O
InChIInChI=1S/C9H9FO2S/c10-5-1-2-7-6(3-5)9(12)8(4-11)13-7/h1-3,8-9,11-12H,4H2/t8-,9+/m1/s1
InChIKeyMHYGUTKANWHHAQ-BDAKNGLRSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol?
The IUPAC name of (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol (CID 70383715) is (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol.
What is the SMILES notation for (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol?
The canonical SMILES for (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol is OC[C@H]1Sc2ccc(F)cc2[C@@H]1O.
What is the InChIKey of (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol?
The InChIKey is MHYGUTKANWHHAQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-5-1-2-7-6(3-5)9(12)8(4-11)13-7/h1-3,8-9,11-12H,4H2/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol?
(2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol has a molecular weight of 200.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-fluoro-2-(hydroxymethyl)-2,3-dihydro-1-benzothiophen-3-ol is sourced from PubChem (CID 70383715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).