N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide

C9H13F3N2O — CID 155123284

IUPACN-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC2(CC2)C1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)5-13-7(15)14-4-3-8(6-14)1-2-8/h1-6H2,(H,13,15)
InChIKeyUEXYSBDDTQQOJS-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.74
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide

N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 155123284) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID155123284
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC2(CC2)C1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)5-13-7(15)14-4-3-8(6-14)1-2-8/h1-6H2,(H,13,15)
InChIKeyUEXYSBDDTQQOJS-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.74
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)-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide (CID 155123284) is N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide is O=C(NCC(F)(F)F)N1CCC2(CC2)C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is UEXYSBDDTQQOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)5-13-7(15)14-4-3-8(6-14)1-2-8/h1-6H2,(H,13,15).
What are the key properties of N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
N-(2,2,2-trifluoroethyl)-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 1.74, 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)-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 155123284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).