4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile

C15H10F3N3O — CID 118578762

IUPAC4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile
SMILESN#Cc1ccc(/C(=N\N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)22-13-7-5-12(6-8-13)14(21-20)11-3-1-10(9-19)2-4-11/h1-8H,20H2/b21-14+
InChIKeyVULUOQWIRZOWQI-KGENOOAVSA-N
MW305.26 g/mol
LogP3.17
Rot. Bonds3

About 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile

4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile (PubChem CID 118578762) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile
PubChem CID118578762
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile
SMILESN#Cc1ccc(/C(=N\N)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)22-13-7-5-12(6-8-13)14(21-20)11-3-1-10(9-19)2-4-11/h1-8H,20H2/b21-14+
InChIKeyVULUOQWIRZOWQI-KGENOOAVSA-N
XLogP3.17
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
CID 87214534
4-[chloro(difluoro)methoxy]benzonitrile
CID 13315043
3-[4-(trifluoromethoxy)phenyl]prop-2-ynenitrile
CID 116791032
4-[4-(trifluoromethoxy)phenyl]but-3-ynenitrile
CID 170475373
4-[difluoro-(2,3,4-trifluorophenyl)methoxy]benzonitrile
CID 57354954
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-cyanophenoxy)acetate
CID 7843207
1-cyano-2-[4-(trifluoromethoxy)phenyl]guanidine
CID 134398637
(4-cyanophenyl) 2-(trifluoromethoxy)benzenesulfonate
CID 31065005
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
4-cyano-N-[(E)-1,2-diamino-2-[4-[[N-methyl-4-(trifluoromethoxy)anilino]methyl]phenyl]ethenyl]benzenesulfonamide
CID 162603854
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
carbamoyl 4-cyanobenzoate
CID 174813888

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile?
The IUPAC name of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile (CID 118578762) is 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile.
What is the SMILES notation for 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile?
The canonical SMILES for 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile is N#Cc1ccc(/C(=N\N)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile?
The InChIKey is VULUOQWIRZOWQI-KGENOOAVSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)22-13-7-5-12(6-8-13)14(21-20)11-3-1-10(9-19)2-4-11/h1-8H,20H2/b21-14+.
What are the key properties of 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile?
4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile has a molecular weight of 305.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzonitrile is sourced from PubChem (CID 118578762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).