4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

C10H10F2O3S — CID 122506365

IUPAC4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(CF)c1ccc(F)c2c1C(O)CC2
InChIInChI=1S/C10H10F2O3S/c11-5-16(14,15)9-4-2-7(12)6-1-3-8(13)10(6)9/h2,4,8,13H,1,3,5H2
InChIKeyIQCLLLMSBOEQCY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.51
Rot. Bonds2

About 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 122506365) has the molecular formula C10H10F2O3S and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID122506365
Molecular FormulaC10H10F2O3S
Molecular Weight248.25 g/mol
Exact Mass248.03
IUPAC Name4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(CF)c1ccc(F)c2c1C(O)CC2
InChIInChI=1S/C10H10F2O3S/c11-5-16(14,15)9-4-2-7(12)6-1-3-8(13)10(6)9/h2,4,8,13H,1,3,5H2
InChIKeyIQCLLLMSBOEQCY-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (CID 122506365) is 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is O=S(=O)(CF)c1ccc(F)c2c1C(O)CC2.
What is the InChIKey of 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IQCLLLMSBOEQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3S/c11-5-16(14,15)9-4-2-7(12)6-1-3-8(13)10(6)9/h2,4,8,13H,1,3,5H2.
What are the key properties of 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 248.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 122506365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).