tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane

C21H23F7OSi — CID 141446097

IUPACtert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F7OSi/c1-18(2,3)30(4,5)29-17-12-10-15(11-13-17)20(24,25)19(22,23)14-6-8-16(9-7-14)21(26,27)28/h6-13H,1-5H3
InChIKeyHJYSJYHWFUBGLO-UHFFFAOYSA-N
MW452.49 g/mol
LogP7.97
Rot. Bonds5

About tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane

tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane (PubChem CID 141446097) has the molecular formula C21H23F7OSi and a molecular weight of 452.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane
PubChem CID141446097
Molecular FormulaC21H23F7OSi
Molecular Weight452.49 g/mol
Exact Mass452.14
IUPAC Nametert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H23F7OSi/c1-18(2,3)30(4,5)29-17-12-10-15(11-13-17)20(24,25)19(22,23)14-6-8-16(9-7-14)21(26,27)28/h6-13H,1-5H3
InChIKeyHJYSJYHWFUBGLO-UHFFFAOYSA-N
XLogP7.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane (CID 141446097) is tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane is CC(C)(C)[Si](C)(C)Oc1ccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane?
The InChIKey is HJYSJYHWFUBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F7OSi/c1-18(2,3)30(4,5)29-17-12-10-15(11-13-17)20(24,25)19(22,23)14-6-8-16(9-7-14)21(26,27)28/h6-13H,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane?
tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane has a molecular weight of 452.49 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)phenyl]ethyl]phenoxy]silane is sourced from PubChem (CID 141446097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).