(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol

C11H11F3O2 — CID 134967793

IUPAC(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15/h1-4,8-10,15-16H,5H2/t8-,9+,10-/m0/s1
InChIKeySQXKNTARPJOPPS-AEJSXWLSSA-N
MW232.20 g/mol
LogP1.82
Rot. Bonds1

About (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol

(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 134967793) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID134967793
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1c2ccccc2C[C@@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15/h1-4,8-10,15-16H,5H2/t8-,9+,10-/m0/s1
InChIKeySQXKNTARPJOPPS-AEJSXWLSSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
4,4,4-Trifluoro-2-methyl-1-phenyl-3-(trifluoromethyl)butane-1,3-diol
CID 36944
1,2-Indanediol
CID 521197
1-(2-(Trifluoromethyl)phenyl)ethanol
CID 522725
trans-1,2-Indandiol
CID 247603
2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol
CID 20693131
4-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492489
2-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492925
4-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493210

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol (CID 134967793) is (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol is O[C@@H]1c2ccccc2C[C@@H]1[C@H](O)C(F)(F)F.
What is the InChIKey of (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SQXKNTARPJOPPS-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)10(16)8-5-6-3-1-2-4-7(6)9(8)15/h1-4,8-10,15-16H,5H2/t8-,9+,10-/m0/s1.
What are the key properties of (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol?
(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 232.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 134967793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).