(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole

C11H19F2N — CID 140929495

IUPAC(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC(C)(C)N1C[C@@H]2CC(F)(F)C[C@@H]2C1
InChIInChI=1S/C11H19F2N/c1-10(2,3)14-6-8-4-11(12,13)5-9(8)7-14/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyOYWRCLBFTREJRO-DTORHVGOSA-N
MW203.28 g/mol
LogP2.76
Rot. Bonds

About (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole

(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 140929495) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID140929495
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC(C)(C)N1C[C@@H]2CC(F)(F)C[C@@H]2C1
InChIInChI=1S/C11H19F2N/c1-10(2,3)14-6-8-4-11(12,13)5-9(8)7-14/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyOYWRCLBFTREJRO-DTORHVGOSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole (CID 140929495) is (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole is CC(C)(C)N1C[C@@H]2CC(F)(F)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is OYWRCLBFTREJRO-DTORHVGOSA-N. The full InChI is InChI=1S/C11H19F2N/c1-10(2,3)14-6-8-4-11(12,13)5-9(8)7-14/h8-9H,4-7H2,1-3H3/t8-,9+.
What are the key properties of (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole?
(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 203.28 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 140929495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).