N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide

C8H11F3N2O — CID 177240335

IUPACN-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)6(14)13-5-1-7(2-5)3-12-4-7/h5,12H,1-4H2,(H,13,14)
InChIKeyUUMCVALXBOFFKW-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.42
Rot. Bonds1

About N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide

N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide (PubChem CID 177240335) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide
PubChem CID177240335
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)6(14)13-5-1-7(2-5)3-12-4-7/h5,12H,1-4H2,(H,13,14)
InChIKeyUUMCVALXBOFFKW-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide (CID 177240335) is N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide is O=C(NC1CC2(CNC2)C1)C(F)(F)F.
What is the InChIKey of N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide?
The InChIKey is UUMCVALXBOFFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)6(14)13-5-1-7(2-5)3-12-4-7/h5,12H,1-4H2,(H,13,14).
What are the key properties of N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide?
N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide has a molecular weight of 208.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 177240335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).