[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate

C14H17F7N4O2Si — CID 177496858

IUPAC[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
SMILESCN(C)/N=C(/O[Si](F)(O/C(=N/N(C)C)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F7N4O2Si/c1-24(2)22-11(13(15,16)17)26-28(21,10-8-6-5-7-9-10)27-12(14(18,19)20)23-25(3)4/h5-9H,1-4H3/b22-11+,23-12+
InChIKeyKEFKCXCMQYMLQN-LCHFAGMQSA-N
MW434.39 g/mol
LogP2.71
Rot. Bonds5

About [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate

[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate (PubChem CID 177496858) has the molecular formula C14H17F7N4O2Si and a molecular weight of 434.39 g/mol. Its IUPAC name is [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate.

Molecular Properties

Compound Name[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
PubChem CID177496858
Molecular FormulaC14H17F7N4O2Si
Molecular Weight434.39 g/mol
Exact Mass434.10
IUPAC Name[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
SMILESCN(C)/N=C(/O[Si](F)(O/C(=N/N(C)C)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H17F7N4O2Si/c1-24(2)22-11(13(15,16)17)26-28(21,10-8-6-5-7-9-10)27-12(14(18,19)20)23-25(3)4/h5-9H,1-4H3/b22-11+,23-12+
InChIKeyKEFKCXCMQYMLQN-LCHFAGMQSA-N
XLogP2.71
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
CID 139162315
methyl 2,2,2-trifluoro-N-phenylethanimidate
CID 58153195
dimethyl-phenyl-(3,3,3-trifluoroprop-1-en-2-yl)silane
CID 11401963
fluoro-methyl-phenyl-(trifluoromethyl)silane;hydrofluoride
CID 174679622
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
triphenylsilyl 2-(trifluoromethyl)prop-2-enoate
CID 163794375
[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
CID 15522728
diphenyl-bis(trifluoromethyl)silane
CID 13186519

Frequently Asked Questions

What is the IUPAC name of [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
The IUPAC name of [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate (CID 177496858) is [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate.
What is the SMILES notation for [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
The canonical SMILES for [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate is CN(C)/N=C(/O[Si](F)(O/C(=N/N(C)C)C(F)(F)F)c1ccccc1)C(F)(F)F.
What is the InChIKey of [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
The InChIKey is KEFKCXCMQYMLQN-LCHFAGMQSA-N. The full InChI is InChI=1S/C14H17F7N4O2Si/c1-24(2)22-11(13(15,16)17)26-28(21,10-8-6-5-7-9-10)27-12(14(18,19)20)23-25(3)4/h5-9H,1-4H3/b22-11+,23-12+.
What are the key properties of [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
[[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate has a molecular weight of 434.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxy-fluoro-phenylsilyl] (1E)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate is sourced from PubChem (CID 177496858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).