4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine

C7H9F3N2 — CID 163667483

IUPAC4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine
SMILESCC1C=C(C(F)(F)F)N=C(N)C1
InChIInChI=1S/C7H9F3N2/c1-4-2-5(7(8,9)10)12-6(11)3-4/h2,4H,3H2,1H3,(H2,11,12)
InChIKeyIZSYXZKSQXPNPP-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.83
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine

4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine (PubChem CID 163667483) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine
PubChem CID163667483
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine
SMILESCC1C=C(C(F)(F)F)N=C(N)C1
InChIInChI=1S/C7H9F3N2/c1-4-2-5(7(8,9)10)12-6(11)3-4/h2,4H,3H2,1H3,(H2,11,12)
InChIKeyIZSYXZKSQXPNPP-UHFFFAOYSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine (CID 163667483) is 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine is CC1C=C(C(F)(F)F)N=C(N)C1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
The InChIKey is IZSYXZKSQXPNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-2-5(7(8,9)10)12-6(11)3-4/h2,4H,3H2,1H3,(H2,11,12).
What are the key properties of 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine?
4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine has a molecular weight of 178.16 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 163667483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).