2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile

C11H6F4N4O — CID 169340479

IUPAC2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C11H6F4N4O/c12-9-3-7(18-19-8(4-16)5-17)1-2-10(9)20-6-11(13,14)15/h1-3,18H,6H2
InChIKeyIOSPZFKCKPYYOT-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.58
Rot. Bonds4

About 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340479) has the molecular formula C11H6F4N4O and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340479
Molecular FormulaC11H6F4N4O
Molecular Weight286.19 g/mol
Exact Mass286.05
IUPAC Name2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C11H6F4N4O/c12-9-3-7(18-19-8(4-16)5-17)1-2-10(9)20-6-11(13,14)15/h1-3,18H,6H2
InChIKeyIOSPZFKCKPYYOT-UHFFFAOYSA-N
XLogP2.58
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.58
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-fluoro-4-(3-methoxypropoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340200
2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339007
2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163787838
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
2-[[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]hydrazinylidene]propanedinitrile
CID 169340160
2-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]hydrazinylidene]propanedinitrile
CID 169340481
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
2-[(3,4-difluoro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341897

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169340479) is 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(OCC(F)(F)F)c(F)c1.
What is the InChIKey of 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is IOSPZFKCKPYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N4O/c12-9-3-7(18-19-8(4-16)5-17)1-2-10(9)20-6-11(13,14)15/h1-3,18H,6H2.
What are the key properties of 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 286.19 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).