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

C10H16F2N2O — CID 170193617

IUPACN-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCN(CC(F)F)C(=O)N1CCC2(CC2)C1
InChIInChI=1S/C10H16F2N2O/c1-13(6-8(11)12)9(15)14-5-4-10(7-14)2-3-10/h8H,2-7H2,1H3
InChIKeyBFSYTTIHMRAFJT-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.79
Rot. Bonds2

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

N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 170193617) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID170193617
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCN(CC(F)F)C(=O)N1CCC2(CC2)C1
InChIInChI=1S/C10H16F2N2O/c1-13(6-8(11)12)9(15)14-5-4-10(7-14)2-3-10/h8H,2-7H2,1H3
InChIKeyBFSYTTIHMRAFJT-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide (CID 170193617) is N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide is CN(CC(F)F)C(=O)N1CCC2(CC2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is BFSYTTIHMRAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-13(6-8(11)12)9(15)14-5-4-10(7-14)2-3-10/h8H,2-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide?
N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 170193617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).