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

C19H30F2O2Si — CID 67814341

IUPAC1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)c1cccc2c1CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30F2O2Si/c1-17(2,3)24(6,7)23-16-12-11-13-14(16)9-8-10-15(13)19(20,21)18(4,5)22/h8-10,16,22H,11-12H2,1-7H3/t16-/m0/s1
InChIKeyDFOUGJPEEDMRNJ-INIZCTEOSA-N
MW356.53 g/mol
LogP5.56
Rot. Bonds4

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

1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 67814341) has the molecular formula C19H30F2O2Si and a molecular weight of 356.53 g/mol. Its IUPAC name is 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
PubChem CID67814341
Molecular FormulaC19H30F2O2Si
Molecular Weight356.53 g/mol
Exact Mass356.20
IUPAC Name1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)c1cccc2c1CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30F2O2Si/c1-17(2,3)24(6,7)23-16-12-11-13-14(16)9-8-10-15(13)19(20,21)18(4,5)22/h8-10,16,22H,11-12H2,1-7H3/t16-/m0/s1
InChIKeyDFOUGJPEEDMRNJ-INIZCTEOSA-N
XLogP5.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 55.56
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-(Trifluoromethyl)indan-1-ol
CID 67058205
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622
Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
3-Methylidene-5-(trifluoromethyl)-1,2-dihydroinden-1-ol
CID 134966825
4-Prop-1-en-2-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492630
4-Ethyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493158
1,1,1-Trifluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]phenyl]propan-2-ol
CID 134832651
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
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
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
1H-Inden-1-ol, 2,3-dihydro-5-(trifluoromethyl)-, (1S)-
CID 29415653

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?
The IUPAC name of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol (CID 67814341) is 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?
The canonical SMILES for 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol is CC(C)(O)C(F)(F)c1cccc2c1CC[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?
The InChIKey is DFOUGJPEEDMRNJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30F2O2Si/c1-17(2,3)24(6,7)23-16-12-11-13-14(16)9-8-10-15(13)19(20,21)18(4,5)22/h8-10,16,22H,11-12H2,1-7H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol?
1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 356.53 g/mol, XLogP of 5.56, 4 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]-1,1-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 67814341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).