[4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide

C10H2F6N4 — CID 10493826

IUPAC[4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
SMILESN#C/N=C1\C=C(C(F)(F)F)/C(=N/C#N)C=C1C(F)(F)F
InChIInChI=1S/C10H2F6N4/c11-9(12,13)5-1-7(19-3-17)6(10(14,15)16)2-8(5)20-4-18/h1-2H/b19-7+,20-8+
InChIKeyIRXLWWCZSWSGJW-OKXCLTPOSA-N
MW292.14 g/mol
LogP2.82
Rot. Bonds

About [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide

[4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide (PubChem CID 10493826) has the molecular formula C10H2F6N4 and a molecular weight of 292.14 g/mol. Its IUPAC name is [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide.

Molecular Properties

Compound Name[4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
PubChem CID10493826
Molecular FormulaC10H2F6N4
Molecular Weight292.14 g/mol
Exact Mass292.02
IUPAC Name[4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
SMILESN#C/N=C1\C=C(C(F)(F)F)/C(=N/C#N)C=C1C(F)(F)F
InChIInChI=1S/C10H2F6N4/c11-9(12,13)5-1-7(19-3-17)6(10(14,15)16)2-8(5)20-4-18/h1-2H/b19-7+,20-8+
InChIKeyIRXLWWCZSWSGJW-OKXCLTPOSA-N
XLogP2.82
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-Cyanoimino-2-methyl-5-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 640486
(4-Cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134936496
[4-Cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10704130

Frequently Asked Questions

What is the IUPAC name of [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The IUPAC name of [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide (CID 10493826) is [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide.
What is the SMILES notation for [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The canonical SMILES for [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide is N#C/N=C1\C=C(C(F)(F)F)/C(=N/C#N)C=C1C(F)(F)F.
What is the InChIKey of [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The InChIKey is IRXLWWCZSWSGJW-OKXCLTPOSA-N. The full InChI is InChI=1S/C10H2F6N4/c11-9(12,13)5-1-7(19-3-17)6(10(14,15)16)2-8(5)20-4-18/h1-2H/b19-7+,20-8+.
What are the key properties of [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
[4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide has a molecular weight of 292.14 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide is sourced from PubChem (CID 10493826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).