trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane

C18H23F3OSi — CID 164674292

IUPACtrimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane
SMILESC[Si](C)(C)OC1(c2ccc(C(F)(F)F)cc2)C2C3CCC(C3)C21
InChIInChI=1S/C18H23F3OSi/c1-23(2,3)22-17(15-11-4-5-12(10-11)16(15)17)13-6-8-14(9-7-13)18(19,20)21/h6-9,11-12,15-16H,4-5,10H2,1-3H3
InChIKeyXBUHTJQEQVWMDC-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.43
Rot. Bonds3

About trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane

trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane (PubChem CID 164674292) has the molecular formula C18H23F3OSi and a molecular weight of 340.46 g/mol. Its IUPAC name is trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane
PubChem CID164674292
Molecular FormulaC18H23F3OSi
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Nametrimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane
SMILESC[Si](C)(C)OC1(c2ccc(C(F)(F)F)cc2)C2C3CCC(C3)C21
InChIInChI=1S/C18H23F3OSi/c1-23(2,3)22-17(15-11-4-5-12(10-11)16(15)17)13-6-8-14(9-7-13)18(19,20)21/h6-9,11-12,15-16H,4-5,10H2,1-3H3
InChIKeyXBUHTJQEQVWMDC-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane
CID 122399013
tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane
CID 171484191
Dimethyl-phenyl-[(3-phenyl-3-tricyclo[3.2.1.02,4]octanyl)oxy]silane
CID 164673540
Trimethyl-[(3-phenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)oxy]silane
CID 164674293
Trimethyl-[2,2,2-trifluoro-1-phenyl-1-(4-phenylphenyl)ethoxy]silane
CID 16083371
2,2-Dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole
CID 25209104
[2-[4-(3,3-Difluoro-2-phenylcyclopropen-1-yl)phenyl]-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 101953171
3-Tricyclo[3.2.1.02,4]octanyl-[4-(trifluoromethyl)phenyl]methanol
CID 105674201
CID 177417285
CID 177417285
Trimethyl-[(3-phenyl-3-tricyclo[3.2.1.02,4]octanyl)oxy]silane
CID 177439994

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane?
The IUPAC name of trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane (CID 164674292) is trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane.
What is the SMILES notation for trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane?
The canonical SMILES for trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane is C[Si](C)(C)OC1(c2ccc(C(F)(F)F)cc2)C2C3CCC(C3)C21.
What is the InChIKey of trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane?
The InChIKey is XBUHTJQEQVWMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3OSi/c1-23(2,3)22-17(15-11-4-5-12(10-11)16(15)17)13-6-8-14(9-7-13)18(19,20)21/h6-9,11-12,15-16H,4-5,10H2,1-3H3.
What are the key properties of trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane?
trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane has a molecular weight of 340.46 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane is sourced from PubChem (CID 164674292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).