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

C10H8F4O3S — CID 122506201

IUPAC(1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(c1ccc(F)c2c1[C@H](O)CC2)C(F)(F)F
InChIInChI=1S/C10H8F4O3S/c11-6-2-4-8(18(16,17)10(12,13)14)9-5(6)1-3-7(9)15/h2,4,7,15H,1,3H2/t7-/m1/s1
InChIKeyXRASUNHTCJPTNC-SSDOTTSWSA-N
MW284.23 g/mol
LogP2.10
Rot. Bonds1

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

(1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 122506201) has the molecular formula C10H8F4O3S and a molecular weight of 284.23 g/mol. Its IUPAC name is (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID122506201
Molecular FormulaC10H8F4O3S
Molecular Weight284.23 g/mol
Exact Mass284.01
IUPAC Name(1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(c1ccc(F)c2c1[C@H](O)CC2)C(F)(F)F
InChIInChI=1S/C10H8F4O3S/c11-6-2-4-8(18(16,17)10(12,13)14)9-5(6)1-3-7(9)15/h2,4,7,15H,1,3H2/t7-/m1/s1
InChIKeyXRASUNHTCJPTNC-SSDOTTSWSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (CID 122506201) is (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is O=S(=O)(c1ccc(F)c2c1[C@H](O)CC2)C(F)(F)F.
What is the InChIKey of (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XRASUNHTCJPTNC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8F4O3S/c11-6-2-4-8(18(16,17)10(12,13)14)9-5(6)1-3-7(9)15/h2,4,7,15H,1,3H2/t7-/m1/s1.
What are the key properties of (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
(1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 284.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-fluoro-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 122506201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).