bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

C25H21F9Si — CID 154397319

IUPACbis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
SMILESC[Si](C1=C2C=CC=CC2C=C1)(C1=C2C=CC=CC2C=C1)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C25H21F9Si/c1-35(20-12-10-16-6-2-4-8-18(16)20,21-13-11-17-7-3-5-9-19(17)21)25(33,34)24(31,32)22(26,27)14-15-23(28,29)30/h2-13,16-17H,14-15H2,1H3
InChIKeyYRHDKMOBKYSJNQ-UHFFFAOYSA-N
MW520.51 g/mol
LogP8.15
Rot. Bonds7

About bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane (PubChem CID 154397319) has the molecular formula C25H21F9Si and a molecular weight of 520.51 g/mol. Its IUPAC name is bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Namebis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
PubChem CID154397319
Molecular FormulaC25H21F9Si
Molecular Weight520.51 g/mol
Exact Mass520.13
IUPAC Namebis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
SMILESC[Si](C1=C2C=CC=CC2C=C1)(C1=C2C=CC=CC2C=C1)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C25H21F9Si/c1-35(20-12-10-16-6-2-4-8-18(16)20,21-13-11-17-7-3-5-9-19(17)21)25(33,34)24(31,32)22(26,27)14-15-23(28,29)30/h2-13,16-17H,14-15H2,1H3
InChIKeyYRHDKMOBKYSJNQ-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.51
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The IUPAC name of bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane (CID 154397319) is bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane is C[Si](C1=C2C=CC=CC2C=C1)(C1=C2C=CC=CC2C=C1)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The InChIKey is YRHDKMOBKYSJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F9Si/c1-35(20-12-10-16-6-2-4-8-18(16)20,21-13-11-17-7-3-5-9-19(17)21)25(33,34)24(31,32)22(26,27)14-15-23(28,29)30/h2-13,16-17H,14-15H2,1H3.
What are the key properties of bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane has a molecular weight of 520.51 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3aH-inden-1-yl)-methyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 154397319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).