(2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate

C14H17F3O3SSi — CID 11268138

IUPAC(2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
SMILESC[Si](C)(C)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2CC1
InChIInChI=1S/C14H17F3O3SSi/c1-22(2,3)12-9-8-10-6-4-5-7-11(10)13(12)20-21(18,19)14(15,16)17/h4-7H,8-9H2,1-3H3
InChIKeyCJHQJSWQECWVJQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.09
Rot. Bonds3

About (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate

(2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate (PubChem CID 11268138) has the molecular formula C14H17F3O3SSi and a molecular weight of 350.43 g/mol. Its IUPAC name is (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
PubChem CID11268138
Molecular FormulaC14H17F3O3SSi
Molecular Weight350.43 g/mol
Exact Mass350.06
IUPAC Name(2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
SMILESC[Si](C)(C)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2CC1
InChIInChI=1S/C14H17F3O3SSi/c1-22(2,3)12-9-8-10-6-4-5-7-11(10)13(12)20-21(18,19)14(15,16)17/h4-7H,8-9H2,1-3H3
InChIKeyCJHQJSWQECWVJQ-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

8,9-dihydro-7H-benzo[7]annulen-5-yl trifluoromethanesulfonate
CID 11833200
3-tert-butyl-1H-isoindole;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 159606344
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
9H-fluoren-3-yl trifluoromethanesulfonate
CID 155935169
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
(2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate
CID 54523576
4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenol;[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 160940514
[2-(2-methylphenyl)-3-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 15213985
2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene;trifluoromethanesulfonate
CID 12957299
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579
[6-(2-cyanophenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulen-5-yl] trifluoromethanesulfonate
CID 177232604
[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210

Frequently Asked Questions

What is the IUPAC name of (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate?
The IUPAC name of (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate (CID 11268138) is (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate.
What is the SMILES notation for (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate?
The canonical SMILES for (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate is C[Si](C)(C)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2CC1.
What is the InChIKey of (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate?
The InChIKey is CJHQJSWQECWVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3SSi/c1-22(2,3)12-9-8-10-6-4-5-7-11(10)13(12)20-21(18,19)14(15,16)17/h4-7H,8-9H2,1-3H3.
What are the key properties of (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate?
(2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate has a molecular weight of 350.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-trimethylsilyl-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate is sourced from PubChem (CID 11268138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).