2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine

C12H15F3N2O3 — CID 137377885

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine
SMILESCC1(C)OCC(COc2cc(N)cc(C(F)(F)F)n2)O1
InChIInChI=1S/C12H15F3N2O3/c1-11(2)19-6-8(20-11)5-18-10-4-7(16)3-9(17-10)12(13,14)15/h3-4,8H,5-6H2,1-2H3,(H2,16,17)
InChIKeyBVQWUGCZDWUZKL-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.21
Rot. Bonds3

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 137377885) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine
PubChem CID137377885
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine
SMILESCC1(C)OCC(COc2cc(N)cc(C(F)(F)F)n2)O1
InChIInChI=1S/C12H15F3N2O3/c1-11(2)19-6-8(20-11)5-18-10-4-7(16)3-9(17-10)12(13,14)15/h3-4,8H,5-6H2,1-2H3,(H2,16,17)
InChIKeyBVQWUGCZDWUZKL-UHFFFAOYSA-N
XLogP2.21
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine (CID 137377885) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine is CC1(C)OCC(COc2cc(N)cc(C(F)(F)F)n2)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is BVQWUGCZDWUZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-11(2)19-6-8(20-11)5-18-10-4-7(16)3-9(17-10)12(13,14)15/h3-4,8H,5-6H2,1-2H3,(H2,16,17).
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 292.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 137377885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).