N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C11H18F2N2O — CID 102893821

IUPACN-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCN(CC(F)F)C(=O)C1NCC2CCCC21
InChIInChI=1S/C11H18F2N2O/c1-15(6-9(12)13)11(16)10-8-4-2-3-7(8)5-14-10/h7-10,14H,2-6H2,1H3
InChIKeyQEVKWPQZYPGUHZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.10
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893821) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893821
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC NameN-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCN(CC(F)F)C(=O)C1NCC2CCCC21
InChIInChI=1S/C11H18F2N2O/c1-15(6-9(12)13)11(16)10-8-4-2-3-7(8)5-14-10/h7-10,14H,2-6H2,1H3
InChIKeyQEVKWPQZYPGUHZ-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893821) is N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CN(CC(F)F)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is QEVKWPQZYPGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-15(6-9(12)13)11(16)10-8-4-2-3-7(8)5-14-10/h7-10,14H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 232.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).