1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine

C11H15F3N2 — CID 175548262

IUPAC1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine
SMILESCCCCC(=NC(F)(F)F)N1C=CC=CC1
InChIInChI=1S/C11H15F3N2/c1-2-3-7-10(15-11(12,13)14)16-8-5-4-6-9-16/h4-6,8H,2-3,7,9H2,1H3
InChIKeyJWASYSHZMCRSEY-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.48
Rot. Bonds3

About 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine

1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine (PubChem CID 175548262) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine.

Molecular Properties

Compound Name1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine
PubChem CID175548262
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine
SMILESCCCCC(=NC(F)(F)F)N1C=CC=CC1
InChIInChI=1S/C11H15F3N2/c1-2-3-7-10(15-11(12,13)14)16-8-5-4-6-9-16/h4-6,8H,2-3,7,9H2,1H3
InChIKeyJWASYSHZMCRSEY-UHFFFAOYSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine?
The IUPAC name of 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine (CID 175548262) is 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine.
What is the SMILES notation for 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine?
The canonical SMILES for 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine is CCCCC(=NC(F)(F)F)N1C=CC=CC1.
What is the InChIKey of 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine?
The InChIKey is JWASYSHZMCRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-3-7-10(15-11(12,13)14)16-8-5-4-6-9-16/h4-6,8H,2-3,7,9H2,1H3.
What are the key properties of 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine?
1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine has a molecular weight of 232.25 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine is sourced from PubChem (CID 175548262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).