3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C8H14F2N2 — CID 177319552

IUPAC3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2(F)CN(C)CC2(F)C1
InChIInChI=1S/C8H14F2N2/c1-11-3-7(9)5-12(2)6-8(7,10)4-11/h3-6H2,1-2H3
InChIKeyVNQRGTYPKNJCJH-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.29
Rot. Bonds

About 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 177319552) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID177319552
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2(F)CN(C)CC2(F)C1
InChIInChI=1S/C8H14F2N2/c1-11-3-7(9)5-12(2)6-8(7,10)4-11/h3-6H2,1-2H3
InChIKeyVNQRGTYPKNJCJH-UHFFFAOYSA-N
XLogP0.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 177319552) is 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CN1CC2(F)CN(C)CC2(F)C1.
What is the InChIKey of 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is VNQRGTYPKNJCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-11-3-7(9)5-12(2)6-8(7,10)4-11/h3-6H2,1-2H3.
What are the key properties of 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 176.21 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-difluoro-2,5-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 177319552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).