5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C9H16F2N2 — CID 118974515

IUPAC5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(CC(F)F)CC2C1
InChIInChI=1S/C9H16F2N2/c1-12-2-7-4-13(6-9(10)11)5-8(7)3-12/h7-9H,2-6H2,1H3
InChIKeyDLKBIISSLWSOSI-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.74
Rot. Bonds2

About 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 118974515) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID118974515
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(CC(F)F)CC2C1
InChIInChI=1S/C9H16F2N2/c1-12-2-7-4-13(6-9(10)11)5-8(7)3-12/h7-9H,2-6H2,1H3
InChIKeyDLKBIISSLWSOSI-UHFFFAOYSA-N
XLogP0.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 118974515) is 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(CC(F)F)CC2C1.
What is the InChIKey of 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is DLKBIISSLWSOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-12-2-7-4-13(6-9(10)11)5-8(7)3-12/h7-9H,2-6H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 190.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 118974515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).