2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane

C16H24F2O2Si — CID 58950973

IUPAC2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane
SMILESCOCc1c(F)c(F)cc2c1C(OCC[Si](C)(C)C)CC2
InChIInChI=1S/C16H24F2O2Si/c1-19-10-12-15-11(9-13(17)16(12)18)5-6-14(15)20-7-8-21(2,3)4/h9,14H,5-8,10H2,1-4H3
InChIKeyFRIIQILEJGYWTE-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.45
Rot. Bonds6

About 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane

2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane (PubChem CID 58950973) has the molecular formula C16H24F2O2Si and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane
PubChem CID58950973
Molecular FormulaC16H24F2O2Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane
SMILESCOCc1c(F)c(F)cc2c1C(OCC[Si](C)(C)C)CC2
InChIInChI=1S/C16H24F2O2Si/c1-19-10-12-15-11(9-13(17)16(12)18)5-6-14(15)20-7-8-21(2,3)4/h9,14H,5-8,10H2,1-4H3
InChIKeyFRIIQILEJGYWTE-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane with MolForge

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Related Compounds

(3E)-1-methoxy-2-methyl-3-(3-prop-2-enoxypropylidene)-1,2-dihydroindene
CID 16759045
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-2,3-dihydroinden-1-ylidene]acetate
CID 53797345
6,8-Difluoro-3,7-dimethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyran
CID 57702256
8,9-Difluoro-3,7-dimethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyran
CID 57702263
7,8-Difluoro-3-pentyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyran
CID 57702294
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
[5,6-difluoro-3-(2-trimethylsilylethoxy)-2,3-dihydro-1H-inden-4-yl]methanol
CID 58951033
(2-(Cyclopentyl(methoxy)methyl)-5-(trifluoromethyl)benzyloxy)(tert-butyl)dimethylsilane
CID 58968676
(1S)-4-(difluoromethyl)-1-prop-2-enoxy-2,3-dihydro-1H-indene
CID 67058299
(1R)-6-fluoro-1-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 67121811
Tert-butyl-[4-(2,2-difluoro-1-methoxy-ethyl)-indan-1-yloxy]-dimethyl-silane
CID 67811810

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane (CID 58950973) is 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane is COCc1c(F)c(F)cc2c1C(OCC[Si](C)(C)C)CC2.
What is the InChIKey of 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane?
The InChIKey is FRIIQILEJGYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O2Si/c1-19-10-12-15-11(9-13(17)16(12)18)5-6-14(15)20-7-8-21(2,3)4/h9,14H,5-8,10H2,1-4H3.
What are the key properties of 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane?
2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane has a molecular weight of 314.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-difluoro-7-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl-trimethylsilane is sourced from PubChem (CID 58950973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).