2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

C8H12F3N — CID 54064885

IUPAC2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESFC(F)(F)C1CC2CCCC2N1
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-4-5-2-1-3-6(5)12-7/h5-7,12H,1-4H2
InChIKeyMCGNKFKKMKGODY-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.08
Rot. Bonds

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

2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 54064885) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID54064885
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESFC(F)(F)C1CC2CCCC2N1
InChIInChI=1S/C8H12F3N/c9-8(10,11)7-4-5-2-1-3-6(5)12-7/h5-7,12H,1-4H2
InChIKeyMCGNKFKKMKGODY-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 54064885) is 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is FC(F)(F)C1CC2CCCC2N1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is MCGNKFKKMKGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c9-8(10,11)7-4-5-2-1-3-6(5)12-7/h5-7,12H,1-4H2.
What are the key properties of 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole has a molecular weight of 179.18 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 54064885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).