5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one

C7H9F2NO — CID 84716766

IUPAC5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
SMILESO=C1NCC2CC(F)(F)CC12
InChIInChI=1S/C7H9F2NO/c8-7(9)1-4-3-10-6(11)5(4)2-7/h4-5H,1-3H2,(H,10,11)
InChIKeyMTZLMRFCEHVLHC-UHFFFAOYSA-N
MW161.15 g/mol
LogP0.78
Rot. Bonds

About 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one

5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one (PubChem CID 84716766) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
PubChem CID84716766
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
SMILESO=C1NCC2CC(F)(F)CC12
InChIInChI=1S/C7H9F2NO/c8-7(9)1-4-3-10-6(11)5(4)2-7/h4-5H,1-3H2,(H,10,11)
InChIKeyMTZLMRFCEHVLHC-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The IUPAC name of 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one (CID 84716766) is 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The canonical SMILES for 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one is O=C1NCC2CC(F)(F)CC12.
What is the InChIKey of 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
The InChIKey is MTZLMRFCEHVLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)1-4-3-10-6(11)5(4)2-7/h4-5H,1-3H2,(H,10,11).
What are the key properties of 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one?
5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one has a molecular weight of 161.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 84716766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).