(1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide

C9H7F2N5 — CID 172980258

IUPAC(1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(F)cc(F)c1
InChIInChI=1S/C9H7F2N5/c10-5-1-6(11)3-7(2-5)15-16-8(4-12)9(13)14/h1-3,15H,(H3,13,14)/b16-8+
InChIKeyFMUMHMFWQJXXRB-LZYBPNLTSA-N
MW223.19 g/mol
LogP1.19
Rot. Bonds3

About (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide (PubChem CID 172980258) has the molecular formula C9H7F2N5 and a molecular weight of 223.19 g/mol. Its IUPAC name is (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide
PubChem CID172980258
Molecular FormulaC9H7F2N5
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name(1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(F)cc(F)c1
InChIInChI=1S/C9H7F2N5/c10-5-1-6(11)3-7(2-5)15-16-8(4-12)9(13)14/h1-3,15H,(H3,13,14)/b16-8+
InChIKeyFMUMHMFWQJXXRB-LZYBPNLTSA-N
XLogP1.19
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.19
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

(1Z)-2-amino-N-[3-(3-fluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979314
(1Z)-2-amino-N-[2-(3,5-difluorophenyl)anilino]-2-iminoethanimidoyl cyanide
CID 172979840
(1Z)-2-amino-N-(4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172931572
(1Z)-2-amino-N-[3,5-bis(methylsulfonyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978388
(1Z)-2-amino-N-(3-bromo-2-chloro-5-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172979744
(1Z)-2-amino-N-[2,5-difluoro-3-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976168
(1Z)-2-amino-N-(3-fluoro-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172980256
(1Z)-2-amino-N-(3-chloro-4-hydroxyanilino)-2-iminoethanimidoyl cyanide
CID 172980240
(1Z)-2-amino-N-(3-chloro-4-ethoxy-5-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172980242
(1Z)-2-amino-N-[5-fluoro-2-iodo-3-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978285
(1Z)-2-amino-N-(2-fluoroanilino)-2-iminoethanimidoyl cyanide
CID 172976781
(1Z)-2-amino-N-(5-chloro-2,4-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931806

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide (CID 172980258) is (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cc(F)cc(F)c1.
What is the InChIKey of (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide?
The InChIKey is FMUMHMFWQJXXRB-LZYBPNLTSA-N. The full InChI is InChI=1S/C9H7F2N5/c10-5-1-6(11)3-7(2-5)15-16-8(4-12)9(13)14/h1-3,15H,(H3,13,14)/b16-8+.
What are the key properties of (1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide has a molecular weight of 223.19 g/mol, XLogP of 1.19, 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-(3,5-difluoroanilino)-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172980258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).