[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol

C15H22F2O2Si — CID 58951033

IUPAC[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol
SMILESC[Si](C)(C)CCOC1CCc2cc(F)c(F)c(CO)c21
InChIInChI=1S/C15H22F2O2Si/c1-20(2,3)7-6-19-13-5-4-10-8-12(16)15(17)11(9-18)14(10)13/h8,13,18H,4-7,9H2,1-3H3
InChIKeyAVPCBNBZVRUWOA-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.80
Rot. Bonds5

About [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol

[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol (PubChem CID 58951033) has the molecular formula C15H22F2O2Si and a molecular weight of 300.42 g/mol. Its IUPAC name is [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol.

Molecular Properties

Compound Name[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol
PubChem CID58951033
Molecular FormulaC15H22F2O2Si
Molecular Weight300.42 g/mol
Exact Mass300.14
IUPAC Name[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol
SMILESC[Si](C)(C)CCOC1CCc2cc(F)c(F)c(CO)c21
InChIInChI=1S/C15H22F2O2Si/c1-20(2,3)7-6-19-13-5-4-10-8-12(16)15(17)11(9-18)14(10)13/h8,13,18H,4-7,9H2,1-3H3
InChIKeyAVPCBNBZVRUWOA-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.80
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

2-[(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)oxy]ethyl-trimethylsilane
CID 58950894
5,6-Difluoro-7-methoxymethylindan-1-ol
CID 58950939
2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane
CID 58950973
6-fluoro-4-methyl-2,3-dihydro-1H-inden-1-ol
CID 62124897
1-[1-(Tert-butyl-dimethyl-silanyloxy)-indan-4-yl]-2,2-difluoro-ethanol
CID 67811798
Tert-butyl-[4-(2,2-difluoro-1-methoxy-ethyl)-indan-1-yloxy]-dimethyl-silane
CID 67811810
2-[(S)-1-(tert-butyl-dimethyl-silanyloxy)-indan-4-yl]-2,2-difluoro-ethanol
CID 67812842
sodium;tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;hydride
CID 67813953
1-[(S)-1-(tert-butyl-dimethyl-silanyloxy)-indan-4-yl]-2,2,2-trifluoro-ethanol
CID 67814010
(1S)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-ol
CID 67814069
tert-butyl-dimethyl-[[(1S)-4-(2,2,2-trifluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 67814231
tert-butyl-dimethyl-[[4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 67814232

Frequently Asked Questions

What is the IUPAC name of [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol?
The IUPAC name of [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol (CID 58951033) is [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol.
What is the SMILES notation for [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol?
The canonical SMILES for [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol is C[Si](C)(C)CCOC1CCc2cc(F)c(F)c(CO)c21.
What is the InChIKey of [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol?
The InChIKey is AVPCBNBZVRUWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O2Si/c1-20(2,3)7-6-19-13-5-4-10-8-12(16)15(17)11(9-18)14(10)13/h8,13,18H,4-7,9H2,1-3H3.
What are the key properties of [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol?
[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol has a molecular weight of 300.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol is sourced from PubChem (CID 58951033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).