1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol

C17H25F3O2Si — CID 67814010

IUPAC1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2c(C(O)C(F)(F)F)cccc21
InChIInChI=1S/C17H25F3O2Si/c1-16(2,3)23(4,5)22-14-10-9-11-12(14)7-6-8-13(11)15(21)17(18,19)20/h6-8,14-15,21H,9-10H2,1-5H3/t14-,15?/m0/s1
InChIKeyREFAMOPVURCUKM-MLCCFXAWSA-N
MW346.47 g/mol
LogP5.29
Rot. Bonds3

About 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol

1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol (PubChem CID 67814010) has the molecular formula C17H25F3O2Si and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol
PubChem CID67814010
Molecular FormulaC17H25F3O2Si
Molecular Weight346.47 g/mol
Exact Mass346.16
IUPAC Name1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2c(C(O)C(F)(F)F)cccc21
InChIInChI=1S/C17H25F3O2Si/c1-16(2,3)23(4,5)22-14-10-9-11-12(14)7-6-8-13(11)15(21)17(18,19)20/h6-8,14-15,21H,9-10H2,1-5H3/t14-,15?/m0/s1
InChIKeyREFAMOPVURCUKM-MLCCFXAWSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S)-4-Methylindan-1-ol
CID 11615192
(r)-4-Methyl-indan-1-ol
CID 11629630
2-Ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493094
4-(Hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493045
(1S)-4-(Trifluoromethyl)indan-1-ol
CID 67058205
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622
3-Methylidene-5-(trifluoromethyl)-1,2-dihydroinden-1-ol
CID 134966825
(S)-6-trifluoromethyl-indan-1-ol
CID 67811672
1,1,1-Trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol
CID 134832651
(1S,2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2,3-dihydro-1H-inden-1-ol
CID 134967793
2-fluoro-4-prop-2-enyl-2,3-dihydro-1H-inden-1-ol
CID 14515313
5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 24820473

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol (CID 67814010) is 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol is CC(C)(C)[Si](C)(C)O[C@H]1CCc2c(C(O)C(F)(F)F)cccc21.
What is the InChIKey of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol?
The InChIKey is REFAMOPVURCUKM-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H25F3O2Si/c1-16(2,3)23(4,5)22-14-10-9-11-12(14)7-6-8-13(11)15(21)17(18,19)20/h6-8,14-15,21H,9-10H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol?
1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol has a molecular weight of 346.47 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 67814010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).