(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide

C10H9F2N5O — CID 172931759

IUPAC(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F2N5O/c11-10(12)18-7-3-1-6(2-4-7)16-17-8(5-13)9(14)15/h1-4,10,16H,(H3,14,15)/b17-8+
InChIKeyYUWBDUFSQOLIJQ-CAOOACKPSA-N
MW253.21 g/mol
LogP1.52
Rot. Bonds5

About (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide (PubChem CID 172931759) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
PubChem CID172931759
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F2N5O/c11-10(12)18-7-3-1-6(2-4-7)16-17-8(5-13)9(14)15/h1-4,10,16H,(H3,14,15)/b17-8+
InChIKeyYUWBDUFSQOLIJQ-CAOOACKPSA-N
XLogP1.52
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.52
H-Bond Donors ≤ 53
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)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide (CID 172931759) is (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide?
The InChIKey is YUWBDUFSQOLIJQ-CAOOACKPSA-N. The full InChI is InChI=1S/C10H9F2N5O/c11-10(12)18-7-3-1-6(2-4-7)16-17-8(5-13)9(14)15/h1-4,10,16H,(H3,14,15)/b17-8+.
What are the key properties of (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide has a molecular weight of 253.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172931759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).