5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C8H13F2N — CID 84716781

IUPAC5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC(F)C1CC2CNCC2C1
InChIInChI=1S/C8H13F2N/c9-8(10)5-1-6-3-11-4-7(6)2-5/h5-8,11H,1-4H2
InChIKeyKBFAOYWXAJWXFG-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.50
Rot. Bonds1

About 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 84716781) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID84716781
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC(F)C1CC2CNCC2C1
InChIInChI=1S/C8H13F2N/c9-8(10)5-1-6-3-11-4-7(6)2-5/h5-8,11H,1-4H2
InChIKeyKBFAOYWXAJWXFG-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 84716781) is 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is FC(F)C1CC2CNCC2C1.
What is the InChIKey of 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is KBFAOYWXAJWXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)5-1-6-3-11-4-7(6)2-5/h5-8,11H,1-4H2.
What are the key properties of 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 161.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 84716781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).