N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide

C9H7F3N4 — CID 22341577

IUPACN'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide
SMILESN#Cc1ccc(N/N=C(\N)C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8(14)16-15-7-3-1-6(5-13)2-4-7/h1-4,15H,(H2,14,16)
InChIKeyIRCYRJWISJXEIN-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.80
Rot. Bonds2

About N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide

N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide (PubChem CID 22341577) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide
PubChem CID22341577
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC NameN'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide
SMILESN#Cc1ccc(N/N=C(\N)C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)8(14)16-15-7-3-1-6(5-13)2-4-7/h1-4,15H,(H2,14,16)
InChIKeyIRCYRJWISJXEIN-UHFFFAOYSA-N
XLogP1.80
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N'-(3-fluoro-4-methylsulfanylanilino)ethanimidamide
CID 10015803
(1E)-1-tert-butylsulfonyl-N-(4-cyanoanilino)methanimidoyl cyanide
CID 6371056
2,2,2-trifluoro-N'-(3-fluoro-4-methylsulfonylanilino)ethanimidamide
CID 88971956
3-[(2Z)-2-(1,1,1-trifluoropropan-2-ylidene)hydrazinyl]benzonitrile
CID 20713000
4-[(E)-C-acetyl-N-anilinocarbonimidoyl]benzonitrile
CID 123575192
ethyl 2-[(4-cyanophenyl)hydrazinylidene]acetate
CID 175981441
(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
CID 91067618
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
2-(4-cyanophenyl)-2,2-difluoroacetohydrazide
CID 170755835
(2Z)-N-(4-cyanoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 8007555
azane;benzene-1,4-dicarbonitrile
CID 174336566
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide (CID 22341577) is N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide is N#Cc1ccc(N/N=C(\N)C(F)(F)F)cc1.
What is the InChIKey of N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide?
The InChIKey is IRCYRJWISJXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)8(14)16-15-7-3-1-6(5-13)2-4-7/h1-4,15H,(H2,14,16).
What are the key properties of N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide?
N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide has a molecular weight of 228.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanoanilino)-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 22341577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).