tetrakis[3,5-bis(trifluoromethyl)phenyl]silane

C32H12F24Si — CID 71426541

IUPACtetrakis[3,5-bis(trifluoromethyl)phenyl]silane
SMILESFC(F)(F)c1cc(C(F)(F)F)cc([Si](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H12F24Si/c33-25(34,35)13-1-14(26(36,37)38)6-21(5-13)57(22-7-15(27(39,40)41)2-16(8-22)28(42,43)44,23-9-17(29(45,46)47)3-18(10-23)30(48,49)50)24-11-19(31(51,52)53)4-20(12-24)32(54,55)56/h1-12H
InChIKeyHLGAWYVMZXUNLH-UHFFFAOYSA-N
MW880.49 g/mol
LogP11.21
Rot. Bonds4

About tetrakis[3,5-bis(trifluoromethyl)phenyl]silane

tetrakis[3,5-bis(trifluoromethyl)phenyl]silane (PubChem CID 71426541) has the molecular formula C32H12F24Si and a molecular weight of 880.49 g/mol. Its IUPAC name is tetrakis[3,5-bis(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Nametetrakis[3,5-bis(trifluoromethyl)phenyl]silane
PubChem CID71426541
Molecular FormulaC32H12F24Si
Molecular Weight880.49 g/mol
Exact Mass880.03
IUPAC Nametetrakis[3,5-bis(trifluoromethyl)phenyl]silane
SMILESFC(F)(F)c1cc(C(F)(F)F)cc([Si](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H12F24Si/c33-25(34,35)13-1-14(26(36,37)38)6-21(5-13)57(22-7-15(27(39,40)41)2-16(8-22)28(42,43)44,23-9-17(29(45,46)47)3-18(10-23)30(48,49)50)24-11-19(31(51,52)53)4-20(12-24)32(54,55)56/h1-12H
InChIKeyHLGAWYVMZXUNLH-UHFFFAOYSA-N
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.49
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis[3,5-bis(trifluoromethyl)phenyl]silane?
The IUPAC name of tetrakis[3,5-bis(trifluoromethyl)phenyl]silane (CID 71426541) is tetrakis[3,5-bis(trifluoromethyl)phenyl]silane.
What is the SMILES notation for tetrakis[3,5-bis(trifluoromethyl)phenyl]silane?
The canonical SMILES for tetrakis[3,5-bis(trifluoromethyl)phenyl]silane is FC(F)(F)c1cc(C(F)(F)F)cc([Si](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of tetrakis[3,5-bis(trifluoromethyl)phenyl]silane?
The InChIKey is HLGAWYVMZXUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12F24Si/c33-25(34,35)13-1-14(26(36,37)38)6-21(5-13)57(22-7-15(27(39,40)41)2-16(8-22)28(42,43)44,23-9-17(29(45,46)47)3-18(10-23)30(48,49)50)24-11-19(31(51,52)53)4-20(12-24)32(54,55)56/h1-12H.
What are the key properties of tetrakis[3,5-bis(trifluoromethyl)phenyl]silane?
tetrakis[3,5-bis(trifluoromethyl)phenyl]silane has a molecular weight of 880.49 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[3,5-bis(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 71426541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).