2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile

C11H7F3N4O — CID 169339736

IUPAC2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C11H7F3N4O/c12-11(13,14)7-19-10-3-1-2-8(4-10)17-18-9(5-15)6-16/h1-4,17H,7H2
InChIKeyWJBWECGOISANQP-UHFFFAOYSA-N
MW268.20 g/mol
LogP2.44
Rot. Bonds4

About 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339736) has the molecular formula C11H7F3N4O and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339736
Molecular FormulaC11H7F3N4O
Molecular Weight268.20 g/mol
Exact Mass268.06
IUPAC Name2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C11H7F3N4O/c12-11(13,14)7-19-10-3-1-2-8(4-10)17-18-9(5-15)6-16/h1-4,17H,7H2
InChIKeyWJBWECGOISANQP-UHFFFAOYSA-N
XLogP2.44
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 52.44
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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Related Compounds

2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338880
2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340479
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
CID 168653348
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
3-oxo-3-[3-(2,2,2-trifluoroethoxy)phenyl]propanenitrile
CID 99770173
methyl 2-cyano-2-[(3-ethoxyphenyl)hydrazinylidene]acetate
CID 829140
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169339736) is 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is WJBWECGOISANQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O/c12-11(13,14)7-19-10-3-1-2-8(4-10)17-18-9(5-15)6-16/h1-4,17H,7H2.
What are the key properties of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 268.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).