cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine

C13H18F3N3 — CID 168894279

IUPACcyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
SMILESC1CCCCC1.[H]/N=c1/c(C(F)(F)F)cccn1/C=N/[H]
InChIInChI=1S/C7H6F3N3.C6H12/c8-7(9,10)5-2-1-3-13(4-11)6(5)12;1-2-4-6-5-3-1/h1-4,11-12H;1-6H2/b11-4+,12-6-;
InChIKeyQYYAIMMDTIPJLK-RLWFBDNYSA-N
MW273.30 g/mol
LogP3.78
Rot. Bonds1

About cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine

cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine (PubChem CID 168894279) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Namecyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
PubChem CID168894279
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Namecyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
SMILESC1CCCCC1.[H]/N=c1/c(C(F)(F)F)cccn1/C=N/[H]
InChIInChI=1S/C7H6F3N3.C6H12/c8-7(9,10)5-2-1-3-13(4-11)6(5)12;1-2-4-6-5-3-1/h1-4,11-12H;1-6H2/b11-4+,12-6-;
InChIKeyQYYAIMMDTIPJLK-RLWFBDNYSA-N
XLogP3.78
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Methanimidoyl-3-(trifluoromethyl)pyridin-2-imine
CID 168894280
Cyclohexane;4-ethenyl-1-methanimidoylpyridin-2-imine
CID 168894267

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine (CID 168894279) is cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine is C1CCCCC1.[H]/N=c1/c(C(F)(F)F)cccn1/C=N/[H].
What is the InChIKey of cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
The InChIKey is QYYAIMMDTIPJLK-RLWFBDNYSA-N. The full InChI is InChI=1S/C7H6F3N3.C6H12/c8-7(9,10)5-2-1-3-13(4-11)6(5)12;1-2-4-6-5-3-1/h1-4,11-12H;1-6H2/b11-4+,12-6-;.
What are the key properties of cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine?
cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine has a molecular weight of 273.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-methanimidoyl-3-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 168894279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).