(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide

C9H8FN5 — CID 172976781

IUPAC(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1F
InChIInChI=1S/C9H8FN5/c10-6-3-1-2-4-7(6)14-15-8(5-11)9(12)13/h1-4,14H,(H3,12,13)/b15-8+
InChIKeyBUIYZJZBSUYLDD-OVCLIPMQSA-N
MW205.20 g/mol
LogP1.05
Rot. Bonds3

About (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172976781) has the molecular formula C9H8FN5 and a molecular weight of 205.20 g/mol. Its IUPAC name is (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
PubChem CID172976781
Molecular FormulaC9H8FN5
Molecular Weight205.20 g/mol
Exact Mass205.08
IUPAC Name(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccccc1F
InChIInChI=1S/C9H8FN5/c10-6-3-1-2-4-7(6)14-15-8(5-11)9(12)13/h1-4,14H,(H3,12,13)/b15-8+
InChIKeyBUIYZJZBSUYLDD-OVCLIPMQSA-N
XLogP1.05
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-6-fluorobenzoic acid
CID 172980449
(1Z)-2-amino-2-imino-N-(2-iodoanilino)ethanimidoyl cyanide
CID 172980468
(1Z)-2-amino-N-[2-(3,4-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172977146
(1Z)-2-amino-N-(5-bromo-2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931715
(1Z)-2-amino-N-(4-cyano-2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172980111
(1Z)-2-amino-N-(2-fluoro-4-iodoanilino)-2-iminoethanimidoyl cyanide
CID 172931612
(1Z)-2-amino-N-[2-(3,5-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979840
(1Z)-2-amino-N-(3-fluoro-2-pyrrolidin-1-ylanilino)-2-iminoethanimidoyl cyanide
CID 172979131
(1Z)-N-(2-acetamidoanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172931881
(1Z)-2-amino-N-(5-chloro-2,4-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931806
(1Z)-2-amino-2-imino-N-(2-propan-2-yloxyanilino)ethanimidoyl cyanide
CID 172976119
(1Z)-2-amino-N-(2-bromo-3-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931872

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide (CID 172976781) is (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccccc1F.
What is the InChIKey of (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is BUIYZJZBSUYLDD-OVCLIPMQSA-N. The full InChI is InChI=1S/C9H8FN5/c10-6-3-1-2-4-7(6)14-15-8(5-11)9(12)13/h1-4,14H,(H3,12,13)/b15-8+.
What are the key properties of (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 205.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172976781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).