N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C12H15F3N2O2 — CID 103269566

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OCC(CNc2ccc(C(F)(F)F)cn2)O1
InChIInChI=1S/C12H15F3N2O2/c1-11(2)18-7-9(19-11)6-17-10-4-3-8(5-16-10)12(13,14)15/h3-5,9H,6-7H2,1-2H3,(H,16,17)
InChIKeyWYAYDGOTIBSBTQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.66
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103269566) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103269566
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OCC(CNc2ccc(C(F)(F)F)cn2)O1
InChIInChI=1S/C12H15F3N2O2/c1-11(2)18-7-9(19-11)6-17-10-4-3-8(5-16-10)12(13,14)15/h3-5,9H,6-7H2,1-2H3,(H,16,17)
InChIKeyWYAYDGOTIBSBTQ-UHFFFAOYSA-N
XLogP2.66
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 103269566) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CC1(C)OCC(CNc2ccc(C(F)(F)F)cn2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WYAYDGOTIBSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2)18-7-9(19-11)6-17-10-4-3-8(5-16-10)12(13,14)15/h3-5,9H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 276.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103269566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).