5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C8H12F2N2O — CID 175835121

IUPAC5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)C1NCC2CC(F)(F)CC21
InChIInChI=1S/C8H12F2N2O/c9-8(10)1-4-3-12-6(7(11)13)5(4)2-8/h4-6,12H,1-3H2,(H2,11,13)
InChIKeyQIFLJESQPKEFMV-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.10
Rot. Bonds1

About 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 175835121) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID175835121
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESNC(=O)C1NCC2CC(F)(F)CC21
InChIInChI=1S/C8H12F2N2O/c9-8(10)1-4-3-12-6(7(11)13)5(4)2-8/h4-6,12H,1-3H2,(H2,11,13)
InChIKeyQIFLJESQPKEFMV-UHFFFAOYSA-N
XLogP0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 175835121) is 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is NC(=O)C1NCC2CC(F)(F)CC21.
What is the InChIKey of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is QIFLJESQPKEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-8(10)1-4-3-12-6(7(11)13)5(4)2-8/h4-6,12H,1-3H2,(H2,11,13).
What are the key properties of 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 190.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 175835121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).