N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

C12H17F3N2O2 — CID 146447241

IUPACN-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCCN(CC1C(=O)C2CCN1CC2)C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-16(11(19)12(13,14)15)7-9-10(18)8-3-5-17(9)6-4-8/h8-9H,2-7H2,1H3
InChIKeyMJTZGMAQDNZLHT-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.06
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 146447241) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID146447241
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCCN(CC1C(=O)C2CCN1CC2)C(=O)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-2-16(11(19)12(13,14)15)7-9-10(18)8-3-5-17(9)6-4-8/h8-9H,2-7H2,1H3
InChIKeyMJTZGMAQDNZLHT-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 146447241) is N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is CCN(CC1C(=O)C2CCN1CC2)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is MJTZGMAQDNZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-2-16(11(19)12(13,14)15)7-9-10(18)8-3-5-17(9)6-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 278.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 146447241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).