N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide

C11H17F3N2O2 — CID 167375390

IUPACN-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide
SMILESCCN1CC(NC(=O)C(F)(F)F)CCC12COC2
InChIInChI=1S/C11H17F3N2O2/c1-2-16-5-8(15-9(17)11(12,13)14)3-4-10(16)6-18-7-10/h8H,2-7H2,1H3,(H,15,17)
InChIKeyAELYJBUFQYMXAP-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.92
Rot. Bonds2

About N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide

N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide (PubChem CID 167375390) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide
PubChem CID167375390
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide
SMILESCCN1CC(NC(=O)C(F)(F)F)CCC12COC2
InChIInChI=1S/C11H17F3N2O2/c1-2-16-5-8(15-9(17)11(12,13)14)3-4-10(16)6-18-7-10/h8H,2-7H2,1H3,(H,15,17)
InChIKeyAELYJBUFQYMXAP-UHFFFAOYSA-N
XLogP0.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(1-pentan-3-ylpyrrolidin-3-yl)acetamide
CID 126576034
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 87679206
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
N-(4-butylcyclohexyl)-2,2,2-trifluoroacetamide
CID 139316363
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
CID 164651542
1-[(6S)-6-ethyl-4-azaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 58542340
N-[4-(4,4-dimethylpiperidine-1-carbonyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 139606156
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
3-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
CID 87189133

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide (CID 167375390) is N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide is CCN1CC(NC(=O)C(F)(F)F)CCC12COC2.
What is the InChIKey of N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AELYJBUFQYMXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-16-5-8(15-9(17)11(12,13)14)3-4-10(16)6-18-7-10/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide?
N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide has a molecular weight of 266.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-oxa-5-azaspiro[3.5]nonan-7-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 167375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).