N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine

C16H19F3N2O — CID 154721493

IUPACN-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC23CC(C4CCCCO4)(C2)C3)n1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)11-4-3-6-13(20-11)21-15-8-14(9-15,10-15)12-5-1-2-7-22-12/h3-4,6,12H,1-2,5,7-10H2,(H,20,21)
InChIKeyWVKGUOGBZDUAJN-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.00
Rot. Bonds3

About N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine

N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 154721493) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID154721493
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NC23CC(C4CCCCO4)(C2)C3)n1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)11-4-3-6-13(20-11)21-15-8-14(9-15,10-15)12-5-1-2-7-22-12/h3-4,6,12H,1-2,5,7-10H2,(H,20,21)
InChIKeyWVKGUOGBZDUAJN-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine (CID 154721493) is N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NC23CC(C4CCCCO4)(C2)C3)n1.
What is the InChIKey of N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WVKGUOGBZDUAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)11-4-3-6-13(20-11)21-15-8-14(9-15,10-15)12-5-1-2-7-22-12/h3-4,6,12H,1-2,5,7-10H2,(H,20,21).
What are the key properties of N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 312.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-2-yl)-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 154721493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).