2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide

C12H20F2N2O — CID 113266440

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
SMILESCN(CC(F)F)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H20F2N2O/c1-16(7-11(13)14)12(17)6-8-4-9-2-3-10(5-8)15-9/h8-11,15H,2-7H2,1H3
InChIKeyJBEQPFIXYJNGRU-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide (PubChem CID 113266440) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
PubChem CID113266440
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
SMILESCN(CC(F)F)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C12H20F2N2O/c1-16(7-11(13)14)12(17)6-8-4-9-2-3-10(5-8)15-9/h8-11,15H,2-7H2,1H3
InChIKeyJBEQPFIXYJNGRU-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide (CID 113266440) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide is CN(CC(F)F)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The InChIKey is JBEQPFIXYJNGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-16(7-11(13)14)12(17)6-8-4-9-2-3-10(5-8)15-9/h8-11,15H,2-7H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide has a molecular weight of 246.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide is sourced from PubChem (CID 113266440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).