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

C7H11F2N — CID 71756392

IUPAC4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(F)CCC2CNCC21
InChIInChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2
InChIKeyAXWZHQLOPCLIMR-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.25
Rot. Bonds

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

4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 71756392) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID71756392
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(F)CCC2CNCC21
InChIInChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2
InChIKeyAXWZHQLOPCLIMR-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 71756392) is 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC1(F)CCC2CNCC21.
What is the InChIKey of 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is AXWZHQLOPCLIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2.
What are the key properties of 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 147.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 71756392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).