N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide

C11H17F3N2O2 — CID 177037826

IUPACN-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide
SMILESCCNC(=O)N1CCC(O)(C(F)(F)F)CC12CC2
InChIInChI=1S/C11H17F3N2O2/c1-2-15-8(17)16-6-5-10(18,11(12,13)14)7-9(16)3-4-9/h18H,2-7H2,1H3,(H,15,17)
InChIKeyISCYPSRXNGTGCX-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.64
Rot. Bonds1

About N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide

N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide (PubChem CID 177037826) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide
PubChem CID177037826
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide
SMILESCCNC(=O)N1CCC(O)(C(F)(F)F)CC12CC2
InChIInChI=1S/C11H17F3N2O2/c1-2-15-8(17)16-6-5-10(18,11(12,13)14)7-9(16)3-4-9/h18H,2-7H2,1H3,(H,15,17)
InChIKeyISCYPSRXNGTGCX-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide?
The IUPAC name of N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide (CID 177037826) is N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide.
What is the SMILES notation for N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide?
The canonical SMILES for N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide is CCNC(=O)N1CCC(O)(C(F)(F)F)CC12CC2.
What is the InChIKey of N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide?
The InChIKey is ISCYPSRXNGTGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-15-8(17)16-6-5-10(18,11(12,13)14)7-9(16)3-4-9/h18H,2-7H2,1H3,(H,15,17).
What are the key properties of N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide?
N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide has a molecular weight of 266.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide is sourced from PubChem (CID 177037826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).