(4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

C10H7FN4 — CID 134936496

IUPAC(4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C(C)/C(=N/C#N)C=C(F)/C1=N\C#N
InChIInChI=1S/C10H7FN4/c1-6-7(2)10(15-5-13)8(11)3-9(6)14-4-12/h3H,1-2H3/b14-9+,15-10-
InChIKeyJHASPTDGAKHUDL-BMJMZVRVSA-N
MW202.19 g/mol
LogP2.03
Rot. Bonds

About (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

(4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (PubChem CID 134936496) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.

Molecular Properties

Compound Name(4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
PubChem CID134936496
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name(4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C(C)/C(=N/C#N)C=C(F)/C1=N\C#N
InChIInChI=1S/C10H7FN4/c1-6-7(2)10(15-5-13)8(11)3-9(6)14-4-12/h3H,1-2H3/b14-9+,15-10-
InChIKeyJHASPTDGAKHUDL-BMJMZVRVSA-N
XLogP2.03
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.03
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

2,5-Dimethyl-2,5-cyclohexadiene-1,4-diylidenebiscyanamide
CID 4640615
[4-Cyanoimino-2-methyl-5-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 640486
[4-Cyanoimino-2,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10493826
(5-Chloro-4-cyanoimino-2-fluoro-3-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937995
(4-Cyanoimino-2,5-difluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 147096304
(4-Cyanoimino-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542863
[4-Cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10704130
(4-Cyanoimino-2-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542862
(4-Cyanoimino-2,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542864
(4-Cyanoimino-2,3,5-trimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542865
(4-Cyanoimino-2-iodo-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13998311
(4-Isocyanoimino-2,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 20820712

Frequently Asked Questions

What is the IUPAC name of (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The IUPAC name of (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (CID 134936496) is (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.
What is the SMILES notation for (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The canonical SMILES for (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is CC1=C(C)/C(=N/C#N)C=C(F)/C1=N\C#N.
What is the InChIKey of (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The InChIKey is JHASPTDGAKHUDL-BMJMZVRVSA-N. The full InChI is InChI=1S/C10H7FN4/c1-6-7(2)10(15-5-13)8(11)3-9(6)14-4-12/h3H,1-2H3/b14-9+,15-10-.
What are the key properties of (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
(4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide has a molecular weight of 202.19 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is sourced from PubChem (CID 134936496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).