4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

C10H11FO3S — CID 122506379

IUPAC4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(F)c2c1C(O)CC2
InChIInChI=1S/C10H11FO3S/c1-15(13,14)9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5,8,12H,2,4H2,1H3
InChIKeyHSBSLHRJYLIYET-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.21
Rot. Bonds1

About 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 122506379) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
PubChem CID122506379
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(F)c2c1C(O)CC2
InChIInChI=1S/C10H11FO3S/c1-15(13,14)9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5,8,12H,2,4H2,1H3
InChIKeyHSBSLHRJYLIYET-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (CID 122506379) is 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is CS(=O)(=O)c1ccc(F)c2c1C(O)CC2.
What is the InChIKey of 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is HSBSLHRJYLIYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-15(13,14)9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5,8,12H,2,4H2,1H3.
What are the key properties of 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 230.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 122506379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).