(2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

C10H6ClFN4 — CID 134986557

IUPAC(2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C(F)/C(=N/C#N)C(C)=C(Cl)/C1=N/C#N
InChIInChI=1S/C10H6ClFN4/c1-5-7(11)9(15-3-13)6(2)8(12)10(5)16-4-14/h1-2H3/b15-9+,16-10+
InChIKeyHNLGLAXZOFOOCP-KAVGSWPWSA-N
MW236.64 g/mol
LogP2.60
Rot. Bonds

About (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

(2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (PubChem CID 134986557) has the molecular formula C10H6ClFN4 and a molecular weight of 236.64 g/mol. Its IUPAC name is (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.

Molecular Properties

Compound Name(2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
PubChem CID134986557
Molecular FormulaC10H6ClFN4
Molecular Weight236.64 g/mol
Exact Mass236.03
IUPAC Name(2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C(F)/C(=N/C#N)C(C)=C(Cl)/C1=N/C#N
InChIInChI=1S/C10H6ClFN4/c1-5-7(11)9(15-3-13)6(2)8(12)10(5)16-4-14/h1-2H3/b15-9+,16-10+
InChIKeyHNLGLAXZOFOOCP-KAVGSWPWSA-N
XLogP2.60
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 52.60
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'}

Analyze (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide with MolForge

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Related Compounds

(2-Chloro-4-cyanoimino-3-ethyl-5-fluoro-6-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134925690
(2,6-Dichloro-4-cyanoimino-3-fluoro-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937744
(5-Chloro-4-cyanoimino-2-fluoro-3-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937995
(2-Chloro-4-cyanoimino-3,6-difluoro-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 89064574
(4-Cyanoimino-2,5-difluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 147096304
(2,3-Dichloro-4-cyanoimino-5-fluoro-6-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 170103843
(2-Chloro-4-cyanoimino-5,6-diethyl-3-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937212
[2-(Chloromethyl)-4-cyanoimino-5-(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10823758
[(4Z)-2-chloro-3,6-difluoro-4-isocyanoimino-5-methylcyclohexa-2,5-dien-1-ylidene]cyanamide
CID 172966950
(2,3-Dichloro-4-cyanoimino-5,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 10610857

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The IUPAC name of (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (CID 134986557) is (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.
What is the SMILES notation for (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The canonical SMILES for (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is CC1=C(F)/C(=N/C#N)C(C)=C(Cl)/C1=N/C#N.
What is the InChIKey of (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The InChIKey is HNLGLAXZOFOOCP-KAVGSWPWSA-N. The full InChI is InChI=1S/C10H6ClFN4/c1-5-7(11)9(15-3-13)6(2)8(12)10(5)16-4-14/h1-2H3/b15-9+,16-10+.
What are the key properties of (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
(2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide has a molecular weight of 236.64 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-cyanoimino-5-fluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is sourced from PubChem (CID 134986557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).