(1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide

C14H14F3N5O — CID 6401031

IUPAC(1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccccc1C(F)(F)F)\N1CCOCC1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-3-1-2-4-11(10)20-21-12(9-18)13(19)22-5-7-23-8-6-22/h1-4,19-20H,5-8H2/b19-13-,21-12+
InChIKeyDBXMPGWXGUAONP-OMTKKBTISA-N
MW325.29 g/mol
LogP2.31
Rot. Bonds3

About (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide

(1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide (PubChem CID 6401031) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
PubChem CID6401031
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name(1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
SMILES[H]/N=C(C(/C#N)=N/Nc1ccccc1C(F)(F)F)\N1CCOCC1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)10-3-1-2-4-11(10)20-21-12(9-18)13(19)22-5-7-23-8-6-22/h1-4,19-20H,5-8H2/b19-13-,21-12+
InChIKeyDBXMPGWXGUAONP-OMTKKBTISA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.31
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 (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
The IUPAC name of (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide (CID 6401031) is (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
The canonical SMILES for (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide is [H]/N=C(C(/C#N)=N/Nc1ccccc1C(F)(F)F)\N1CCOCC1.
What is the InChIKey of (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
The InChIKey is DBXMPGWXGUAONP-OMTKKBTISA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)10-3-1-2-4-11(10)20-21-12(9-18)13(19)22-5-7-23-8-6-22/h1-4,19-20H,5-8H2/b19-13-,21-12+.
What are the key properties of (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide?
(1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide has a molecular weight of 325.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-imino-2-morpholin-4-yl-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide is sourced from PubChem (CID 6401031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).