N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine

C7H9F3N2 — CID 145415463

IUPACN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESCNC1NC=CC=C1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-11-6-5(7(8,9)10)3-2-4-12-6/h2-4,6,11-12H,1H3
InChIKeyCVNRSOJZPDFDIV-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.14
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine

N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine (PubChem CID 145415463) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
PubChem CID145415463
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESCNC1NC=CC=C1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-11-6-5(7(8,9)10)3-2-4-12-6/h2-4,6,11-12H,1H3
InChIKeyCVNRSOJZPDFDIV-UHFFFAOYSA-N
XLogP1.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine (CID 145415463) is N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine is CNC1NC=CC=C1C(F)(F)F.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is CVNRSOJZPDFDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-11-6-5(7(8,9)10)3-2-4-12-6/h2-4,6,11-12H,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 178.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 145415463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).