(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine

C12H14F5NSi — CID 135007371

IUPAC(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine
SMILESC[Si](C)(C)/N=C(\c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F5NSi/c1-19(2,3)18-10(9-7-5-4-6-8-9)11(13,14)12(15,16)17/h4-8H,1-3H3/b18-10+
InChIKeyVQGIRIQWPNPLGS-VCHYOVAHSA-N
MW295.33 g/mol
LogP4.51
Rot. Bonds3

About (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine

(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine (PubChem CID 135007371) has the molecular formula C12H14F5NSi and a molecular weight of 295.33 g/mol. Its IUPAC name is (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine.

Molecular Properties

Compound Name(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine
PubChem CID135007371
Molecular FormulaC12H14F5NSi
Molecular Weight295.33 g/mol
Exact Mass295.08
IUPAC Name(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine
SMILESC[Si](C)(C)/N=C(\c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F5NSi/c1-19(2,3)18-10(9-7-5-4-6-8-9)11(13,14)12(15,16)17/h4-8H,1-3H3/b18-10+
InChIKeyVQGIRIQWPNPLGS-VCHYOVAHSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine?
The IUPAC name of (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine (CID 135007371) is (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine.
What is the SMILES notation for (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine?
The canonical SMILES for (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine is C[Si](C)(C)/N=C(\c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine?
The InChIKey is VQGIRIQWPNPLGS-VCHYOVAHSA-N. The full InChI is InChI=1S/C12H14F5NSi/c1-19(2,3)18-10(9-7-5-4-6-8-9)11(13,14)12(15,16)17/h4-8H,1-3H3/b18-10+.
What are the key properties of (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine?
(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine has a molecular weight of 295.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine is sourced from PubChem (CID 135007371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).