2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile

C16H9F3N4O — CID 169340911

IUPAC2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)24-15-7-3-12(4-8-15)11-1-5-13(6-2-11)22-23-14(9-20)10-21/h1-8,22H
InChIKeyLIKLKVXKBYVFKD-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.07
Rot. Bonds4

About 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile

2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340911) has the molecular formula C16H9F3N4O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340911
Molecular FormulaC16H9F3N4O
Molecular Weight330.27 g/mol
Exact Mass330.07
IUPAC Name2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H9F3N4O/c17-16(18,19)24-15-7-3-12(4-8-15)11-1-5-13(6-2-11)22-23-14(9-20)10-21/h1-8,22H
InChIKeyLIKLKVXKBYVFKD-UHFFFAOYSA-N
XLogP4.07
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile (CID 169340911) is 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is LIKLKVXKBYVFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O/c17-16(18,19)24-15-7-3-12(4-8-15)11-1-5-13(6-2-11)22-23-14(9-20)10-21/h1-8,22H.
What are the key properties of 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile?
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 330.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).