N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide

C13H21F3N2O — CID 142739320

IUPACN-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)9-18-11(19)10-1-3-12(4-2-10)5-7-17-8-6-12/h10,17H,1-9H2,(H,18,19)
InChIKeyGXSCGPKANUTAOA-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.22
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide

N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 142739320) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide
PubChem CID142739320
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)9-18-11(19)10-1-3-12(4-2-10)5-7-17-8-6-12/h10,17H,1-9H2,(H,18,19)
InChIKeyGXSCGPKANUTAOA-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide (CID 142739320) is N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide is O=C(NCC(F)(F)F)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is GXSCGPKANUTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)9-18-11(19)10-1-3-12(4-2-10)5-7-17-8-6-12/h10,17H,1-9H2,(H,18,19).
What are the key properties of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide?
N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 142739320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).