4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine

C9H13F3N2 — CID 162769804

IUPAC4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESCC(C)C1=CC(N)NC(C(F)(F)F)=C1
InChIInChI=1S/C9H13F3N2/c1-5(2)6-3-7(9(10,11)12)14-8(13)4-6/h3-5,8,14H,13H2,1-2H3
InChIKeyIWLLQMHLMAEEIN-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.90
Rot. Bonds1

About 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine

4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine (PubChem CID 162769804) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine
PubChem CID162769804
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine
SMILESCC(C)C1=CC(N)NC(C(F)(F)F)=C1
InChIInChI=1S/C9H13F3N2/c1-5(2)6-3-7(9(10,11)12)14-8(13)4-6/h3-5,8,14H,13H2,1-2H3
InChIKeyIWLLQMHLMAEEIN-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine (CID 162769804) is 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine is CC(C)C1=CC(N)NC(C(F)(F)F)=C1.
What is the InChIKey of 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is IWLLQMHLMAEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-5(2)6-3-7(9(10,11)12)14-8(13)4-6/h3-5,8,14H,13H2,1-2H3.
What are the key properties of 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine?
4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 206.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(trifluoromethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 162769804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).