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

C13H21F3N2O — CID 115605543

IUPACN-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-17-11(19)18-8-6-12(7-9-18)4-2-1-3-5-12/h1-10H2,(H,17,19)
InChIKeyYVDPVKRCGYWXBE-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.30
Rot. Bonds1

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

N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 115605543) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide
PubChem CID115605543
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-17-11(19)18-8-6-12(7-9-18)4-2-1-3-5-12/h1-10H2,(H,17,19)
InChIKeyYVDPVKRCGYWXBE-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide (CID 115605543) is N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide is O=C(NCC(F)(F)F)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is YVDPVKRCGYWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)10-17-11(19)18-8-6-12(7-9-18)4-2-1-3-5-12/h1-10H2,(H,17,19).
What are the key properties of N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide?
N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-3-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 115605543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).