5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C13H22F2N2 — CID 114224389

IUPAC5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CC1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2/c1-9-12-6-16-5-11(12)8-17(9)7-10-2-3-13(14,15)4-10/h9-12,16H,2-8H2,1H3
InChIKeyDPJSEWSADBTGBL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.96
Rot. Bonds2

About 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 114224389) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID114224389
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1CC1CCC(F)(F)C1
InChIInChI=1S/C13H22F2N2/c1-9-12-6-16-5-11(12)8-17(9)7-10-2-3-13(14,15)4-10/h9-12,16H,2-8H2,1H3
InChIKeyDPJSEWSADBTGBL-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 114224389) is 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1CC1CCC(F)(F)C1.
What is the InChIKey of 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is DPJSEWSADBTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2/c1-9-12-6-16-5-11(12)8-17(9)7-10-2-3-13(14,15)4-10/h9-12,16H,2-8H2,1H3.
What are the key properties of 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 244.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 114224389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).