tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane

C14H21F3OSi — CID 11277728

IUPACtert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3OSi/c1-13(2,3)19(4,5)18-10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,10H2,1-5H3
InChIKeyBUTDZWLDJVPVCA-UHFFFAOYSA-N
MW290.40 g/mol
LogP5.23
Rot. Bonds3

About tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane

tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane (PubChem CID 11277728) has the molecular formula C14H21F3OSi and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
PubChem CID11277728
Molecular FormulaC14H21F3OSi
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Nametert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3OSi/c1-13(2,3)19(4,5)18-10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,10H2,1-5H3
InChIKeyBUTDZWLDJVPVCA-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.40
LogP ≤ 55.23
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

Benzyloxytrimethylsilane
CID 518982
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
Tert-butyl[(4-iodophenyl)methoxy]dimethylsilane
CID 10020633
1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 13085174
O-(4-(Trifluoromethyl)benzyl)hydroxylamine hydrochloride
CID 18526040
4-(Difluoromethyl)benzenemethanol
CID 57446323
Tert-butyl(((4-(chloromethyl)phenyl)methoxy))dimethylsilane
CID 57969477
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667
Silane, triethyl(phenylmethoxy)-
CID 563229
((1-(2-Fluorophenyl)vinyl)oxy)trimethylsilane
CID 10954822
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane (CID 11277728) is tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane?
The InChIKey is BUTDZWLDJVPVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3OSi/c1-13(2,3)19(4,5)18-10-11-6-8-12(9-7-11)14(15,16)17/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane has a molecular weight of 290.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane is sourced from PubChem (CID 11277728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).