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

C10H6F2N4 — CID 10704130

IUPAC[4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
SMILESN#C/N=C1\C=C(CF)/C(=N/C#N)C=C1CF
InChIInChI=1S/C10H6F2N4/c11-3-7-1-9(15-5-13)8(4-12)2-10(7)16-6-14/h1-2H,3-4H2/b15-9+,16-10+
InChIKeyOWTXDOKATLUKPU-KAVGSWPWSA-N
MW220.18 g/mol
LogP1.64
Rot. Bonds2

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

[4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide (PubChem CID 10704130) has the molecular formula C10H6F2N4 and a molecular weight of 220.18 g/mol. Its IUPAC name is [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide.

Molecular Properties

Compound Name[4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
PubChem CID10704130
Molecular FormulaC10H6F2N4
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name[4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
SMILESN#C/N=C1\C=C(CF)/C(=N/C#N)C=C1CF
InChIInChI=1S/C10H6F2N4/c11-3-7-1-9(15-5-13)8(4-12)2-10(7)16-6-14/h1-2H,3-4H2/b15-9+,16-10+
InChIKeyOWTXDOKATLUKPU-KAVGSWPWSA-N
XLogP1.64
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.64
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
(4-Cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134936496
(4-Cyanoimino-2,5-difluoro-3,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 147096304
(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
[(4Z)-4-isocyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]cyanamide
CID 22899921
(4-Cyanoimino-2-ethenylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 54512965
(4-Cyanoimino-2,5-diethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 56979397
(4-Cyanoimino-2-prop-2-enylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 57224890

Frequently Asked Questions

What is the IUPAC name of [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The IUPAC name of [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide (CID 10704130) is [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide.
What is the SMILES notation for [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The canonical SMILES for [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide is N#C/N=C1\C=C(CF)/C(=N/C#N)C=C1CF.
What is the InChIKey of [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
The InChIKey is OWTXDOKATLUKPU-KAVGSWPWSA-N. The full InChI is InChI=1S/C10H6F2N4/c11-3-7-1-9(15-5-13)8(4-12)2-10(7)16-6-14/h1-2H,3-4H2/b15-9+,16-10+.
What are the key properties of [4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide?
[4-cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide has a molecular weight of 220.18 g/mol, XLogP of 1.64, 2 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(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide is sourced from PubChem (CID 10704130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).