5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

C13H17F3N2O2 — CID 90286652

IUPAC5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OC(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C
InChIInChI=1S/C13H17F3N2O2/c1-11(2)12(3,4)20-10(19-11)7-5-8(13(14,15)16)9(17)18-6-7/h5-6,10H,1-4H3,(H2,17,18)
InChIKeyLFTUOWNRFBPPCI-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.29
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 90286652) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID90286652
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OC(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C
InChIInChI=1S/C13H17F3N2O2/c1-11(2)12(3,4)20-10(19-11)7-5-8(13(14,15)16)9(17)18-6-7/h5-6,10H,1-4H3,(H2,17,18)
InChIKeyLFTUOWNRFBPPCI-UHFFFAOYSA-N
XLogP3.29
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 90286652) is 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is CC1(C)OC(c2cnc(N)c(C(F)(F)F)c2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LFTUOWNRFBPPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-11(2)12(3,4)20-10(19-11)7-5-8(13(14,15)16)9(17)18-6-7/h5-6,10H,1-4H3,(H2,17,18).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90286652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).