N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine

C₁₀H₁₁F₃N₂ — CID 156651628

About N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine

N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine (PubChem CID 156651628) has the molecular formula C₁₀H₁₁F₃N₂ and a molecular weight of 216.21 g/mol. Its IUPAC name is N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

• Compound Name: N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine
• PubChem CID: 156651628
• Molecular Formula: C₁₀H₁₁F₃N₂
• Molecular Weight: 216.21 g/mol
• Exact Mass: 216.09
• IUPAC Name: N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine
• SMILES: C=C(C)n1cccc(C(F)(F)F)/c1=N/C
• InChI: InChI=1S/C10H11F3N2/c1-7(2)15-6-4-5-8(9(15)14-3)10(11,12)13/h4-6H,1H2,2-3H3/b14-9-
• InChIKey: XUPTWAFMSMCYIG-ZROIWOOFSA-N
• XLogP: 2.53
• TPSA: 17.29 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.21
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine?

The IUPAC name of N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine (CID 156651628) is N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine.

What is the SMILES notation for N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine?

The canonical SMILES for N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine is C=C(C)n1cccc(C(F)(F)F)/c1=N/C.

What is the InChIKey of N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine?

The InChIKey is XUPTWAFMSMCYIG-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-7(2)15-6-4-5-8(9(15)14-3)10(11,12)13/h4-6H,1H2,2-3H3/b14-9-.

What are the key properties of N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine?

N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine has a molecular weight of 216.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 156651628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156651628 — identifiers, structure, computed properties (public domain)

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