(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone

C17H20F3NO2 — CID 171942646

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
SMILESCN1C2CCC1CC(C(=O)c1ccc(OCC(F)(F)F)cc1)C2
InChIInChI=1S/C17H20F3NO2/c1-21-13-4-5-14(21)9-12(8-13)16(22)11-2-6-15(7-3-11)23-10-17(18,19)20/h2-3,6-7,12-14H,4-5,8-10H2,1H3
InChIKeyGGLXHPSPOACQMP-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.68
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone (PubChem CID 171942646) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
PubChem CID171942646
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
SMILESCN1C2CCC1CC(C(=O)c1ccc(OCC(F)(F)F)cc1)C2
InChIInChI=1S/C17H20F3NO2/c1-21-13-4-5-14(21)9-12(8-13)16(22)11-2-6-15(7-3-11)23-10-17(18,19)20/h2-3,6-7,12-14H,4-5,8-10H2,1H3
InChIKeyGGLXHPSPOACQMP-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone (CID 171942646) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone is CN1C2CCC1CC(C(=O)c1ccc(OCC(F)(F)F)cc1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
The InChIKey is GGLXHPSPOACQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-21-13-4-5-14(21)9-12(8-13)16(22)11-2-6-15(7-3-11)23-10-17(18,19)20/h2-3,6-7,12-14H,4-5,8-10H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone has a molecular weight of 327.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone is sourced from PubChem (CID 171942646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).