(1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide

C13H14FN5O — CID 6419199

IUPAC(1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N\Nc1ccccc1F)\N1CCOCC1
InChIInChI=1S/C13H14FN5O/c14-10-3-1-2-4-11(10)17-18-12(9-15)13(16)19-5-7-20-8-6-19/h1-4,16-17H,5-8H2/b16-13-,18-12-
InChIKeyAHGDOINZUDZQTR-UJZUQUBNSA-N
MW275.29 g/mol
LogP1.43
Rot. Bonds3

About (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide

(1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide (PubChem CID 6419199) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide
PubChem CID6419199
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name(1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N\Nc1ccccc1F)\N1CCOCC1
InChIInChI=1S/C13H14FN5O/c14-10-3-1-2-4-11(10)17-18-12(9-15)13(16)19-5-7-20-8-6-19/h1-4,16-17H,5-8H2/b16-13-,18-12-
InChIKeyAHGDOINZUDZQTR-UJZUQUBNSA-N
XLogP1.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
The IUPAC name of (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide (CID 6419199) is (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide.
What is the SMILES notation for (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
The canonical SMILES for (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide is [H]/N=C(C(/C#N)=N\Nc1ccccc1F)\N1CCOCC1.
What is the InChIKey of (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
The InChIKey is AHGDOINZUDZQTR-UJZUQUBNSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-10-3-1-2-4-11(10)17-18-12(9-15)13(16)19-5-7-20-8-6-19/h1-4,16-17H,5-8H2/b16-13-,18-12-.
What are the key properties of (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide?
(1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide has a molecular weight of 275.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(2-fluoroanilino)-2-imino-2-morpholin-4-ylethanimidoyl cyanide is sourced from PubChem (CID 6419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).