5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C13H15F2N — CID 115033859

IUPAC5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFc1cccc(C2(F)CC3CNCC3C2)c1
InChIInChI=1S/C13H15F2N/c14-12-3-1-2-11(4-12)13(15)5-9-7-16-8-10(9)6-13/h1-4,9-10,16H,5-8H2
InChIKeyXMBKUQUMBWHQIL-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.62
Rot. Bonds1

About 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115033859) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115033859
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFc1cccc(C2(F)CC3CNCC3C2)c1
InChIInChI=1S/C13H15F2N/c14-12-3-1-2-11(4-12)13(15)5-9-7-16-8-10(9)6-13/h1-4,9-10,16H,5-8H2
InChIKeyXMBKUQUMBWHQIL-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115033859) is 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is Fc1cccc(C2(F)CC3CNCC3C2)c1.
What is the InChIKey of 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is XMBKUQUMBWHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c14-12-3-1-2-11(4-12)13(15)5-9-7-16-8-10(9)6-13/h1-4,9-10,16H,5-8H2.
What are the key properties of 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 223.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115033859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).