bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane

C25H35F3Si — CID 123504348

IUPACbis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
SMILESC[Si](CCCCCC(F)(F)F)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C25H35F3Si/c1-29(18-8-2-7-17-25(26,27)28,23-15-13-19-9-3-5-11-21(19)23)24-16-14-20-10-4-6-12-22(20)24/h3-6,9-12,19-24H,2,7-8,13-18H2,1H3
InChIKeyORGPBEFZCDMNAK-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.23
Rot. Bonds7

About bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane

bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane (PubChem CID 123504348) has the molecular formula C25H35F3Si and a molecular weight of 420.64 g/mol. Its IUPAC name is bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane.

Molecular Properties

Compound Namebis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
PubChem CID123504348
Molecular FormulaC25H35F3Si
Molecular Weight420.64 g/mol
Exact Mass420.25
IUPAC Namebis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane
SMILESC[Si](CCCCCC(F)(F)F)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21
InChIInChI=1S/C25H35F3Si/c1-29(18-8-2-7-17-25(26,27)28,23-15-13-19-9-3-5-11-21(19)23)24-16-14-20-10-4-6-12-22(20)24/h3-6,9-12,19-24H,2,7-8,13-18H2,1H3
InChIKeyORGPBEFZCDMNAK-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane?
The IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane (CID 123504348) is bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane.
What is the SMILES notation for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane?
The canonical SMILES for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane is C[Si](CCCCCC(F)(F)F)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.
What is the InChIKey of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane?
The InChIKey is ORGPBEFZCDMNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3Si/c1-29(18-8-2-7-17-25(26,27)28,23-15-13-19-9-3-5-11-21(19)23)24-16-14-20-10-4-6-12-22(20)24/h3-6,9-12,19-24H,2,7-8,13-18H2,1H3.
What are the key properties of bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane?
bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane has a molecular weight of 420.64 g/mol, XLogP of 8.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-(6,6,6-trifluorohexyl)silane is sourced from PubChem (CID 123504348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).