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

C14H16F3N — CID 156800900

IUPAC5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC(F)(F)c1ccc(C2CC3CNCC3C2)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13-3-1-9(2-4-13)10-5-11-7-18-8-12(11)6-10/h1-4,10-12,18H,5-8H2
InChIKeyZSZLWVOQCNIWTM-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.42
Rot. Bonds1

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

5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 156800900) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID156800900
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC(F)(F)c1ccc(C2CC3CNCC3C2)cc1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13-3-1-9(2-4-13)10-5-11-7-18-8-12(11)6-10/h1-4,10-12,18H,5-8H2
InChIKeyZSZLWVOQCNIWTM-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 156800900) is 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is FC(F)(F)c1ccc(C2CC3CNCC3C2)cc1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is ZSZLWVOQCNIWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)13-3-1-9(2-4-13)10-5-11-7-18-8-12(11)6-10/h1-4,10-12,18H,5-8H2.
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 255.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 156800900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).