N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine

C12H13F3N2 — CID 66331048

IUPACN-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CC=CCC2)c1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)9-6-7-16-11(8-9)17-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,16,17)
InChIKeyUKAXYVWLVXVFJQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.62
Rot. Bonds2

About N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine

N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66331048) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66331048
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC NameN-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CC=CCC2)c1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)9-6-7-16-11(8-9)17-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,16,17)
InChIKeyUKAXYVWLVXVFJQ-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine (CID 66331048) is N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NC2CC=CCC2)c1.
What is the InChIKey of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UKAXYVWLVXVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)9-6-7-16-11(8-9)17-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,16,17).
What are the key properties of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 242.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66331048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).