1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine

C19H18F3NSi — CID 11501101

IUPAC1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
SMILESC[Si](C)(C)C#C/C(=N\c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H18F3NSi/c1-24(2,3)13-12-18(15-8-5-4-6-9-15)23-17-11-7-10-16(14-17)19(20,21)22/h4-11,14H,1-3H3/b23-18+
InChIKeyHOHIAFVQOSFHDX-PTGBLXJZSA-N
MW345.44 g/mol
LogP5.71
Rot. Bonds2

About 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine

1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine (PubChem CID 11501101) has the molecular formula C19H18F3NSi and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine.

Molecular Properties

Compound Name1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
PubChem CID11501101
Molecular FormulaC19H18F3NSi
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
SMILESC[Si](C)(C)C#C/C(=N\c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H18F3NSi/c1-24(2,3)13-12-18(15-8-5-4-6-9-15)23-17-11-7-10-16(14-17)19(20,21)22/h4-11,14H,1-3H3/b23-18+
InChIKeyHOHIAFVQOSFHDX-PTGBLXJZSA-N
XLogP5.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.71
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide
CID 101120862
1-phenyl-N-thiophen-3-yl-3-trimethylsilylprop-2-yn-1-imine
CID 86244269
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
(4-cyanophenyl) N-[3-(trifluoromethyl)phenyl]benzenecarboximidate
CID 11057634
dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
CID 6333667
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide
CID 141343912
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008
[(E)-prop-1-enyl] N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
CID 143118268
5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine
CID 121224764
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine?
The IUPAC name of 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine (CID 11501101) is 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine.
What is the SMILES notation for 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine?
The canonical SMILES for 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine is C[Si](C)(C)C#C/C(=N\c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine?
The InChIKey is HOHIAFVQOSFHDX-PTGBLXJZSA-N. The full InChI is InChI=1S/C19H18F3NSi/c1-24(2,3)13-12-18(15-8-5-4-6-9-15)23-17-11-7-10-16(14-17)19(20,21)22/h4-11,14H,1-3H3/b23-18+.
What are the key properties of 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine?
1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine has a molecular weight of 345.44 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine is sourced from PubChem (CID 11501101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).