[2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate

C22H26F3NO3SSi — CID 101480203

IUPAC[2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
SMILESCC(C)[Si](c1ccccc1OS(=O)(=O)C(F)(F)F)(c1cc2ccccc2n1C)C(C)C
InChIInChI=1S/C22H26F3NO3SSi/c1-15(2)31(16(3)4,21-14-17-10-6-7-11-18(17)26(21)5)20-13-9-8-12-19(20)29-30(27,28)22(23,24)25/h6-16H,1-5H3
InChIKeyMNUGHLQFNRCMNB-UHFFFAOYSA-N
MW469.60 g/mol
LogP4.79
Rot. Bonds6

About [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate

[2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate (PubChem CID 101480203) has the molecular formula C22H26F3NO3SSi and a molecular weight of 469.60 g/mol. Its IUPAC name is [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
PubChem CID101480203
Molecular FormulaC22H26F3NO3SSi
Molecular Weight469.60 g/mol
Exact Mass469.14
IUPAC Name[2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate
SMILESCC(C)[Si](c1ccccc1OS(=O)(=O)C(F)(F)F)(c1cc2ccccc2n1C)C(C)C
InChIInChI=1S/C22H26F3NO3SSi/c1-15(2)31(16(3)4,21-14-17-10-6-7-11-18(17)26(21)5)20-13-9-8-12-19(20)29-30(27,28)22(23,24)25/h6-16H,1-5H3
InChIKeyMNUGHLQFNRCMNB-UHFFFAOYSA-N
XLogP4.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate?
The IUPAC name of [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate (CID 101480203) is [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate.
What is the SMILES notation for [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate?
The canonical SMILES for [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate is CC(C)[Si](c1ccccc1OS(=O)(=O)C(F)(F)F)(c1cc2ccccc2n1C)C(C)C.
What is the InChIKey of [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate?
The InChIKey is MNUGHLQFNRCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3SSi/c1-15(2)31(16(3)4,21-14-17-10-6-7-11-18(17)26(21)5)20-13-9-8-12-19(20)29-30(27,28)22(23,24)25/h6-16H,1-5H3.
What are the key properties of [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate?
[2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate has a molecular weight of 469.60 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylindol-2-yl)-di(propan-2-yl)silyl]phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 101480203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).