2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile

C11H7F3N4 — CID 88711657

IUPAC2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
SMILESN#CC(C#N)=C(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)9-3-1-7(2-4-9)10(18-17)8(5-15)6-16/h1-4,18H,17H2
InChIKeyWYCURLMPZURQBU-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.93
Rot. Bonds2

About 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile

2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile (PubChem CID 88711657) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
PubChem CID88711657
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
SMILESN#CC(C#N)=C(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)9-3-1-7(2-4-9)10(18-17)8(5-15)6-16/h1-4,18H,17H2
InChIKeyWYCURLMPZURQBU-UHFFFAOYSA-N
XLogP1.93
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile?
The IUPAC name of 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile (CID 88711657) is 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile is N#CC(C#N)=C(NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile?
The InChIKey is WYCURLMPZURQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)9-3-1-7(2-4-9)10(18-17)8(5-15)6-16/h1-4,18H,17H2.
What are the key properties of 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile?
2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile has a molecular weight of 252.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydrazinyl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile is sourced from PubChem (CID 88711657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).