3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C12H22F2N2 — CID 171444840

IUPAC3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1CC2(F)CN(C(C)C)CC2(F)C1
InChIInChI=1S/C12H22F2N2/c1-9(2)15-5-11(13)7-16(10(3)4)8-12(11,14)6-15/h9-10H,5-8H2,1-4H3
InChIKeyPOVCNXDKASPOQH-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.85
Rot. Bonds2

About 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 171444840) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID171444840
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)N1CC2(F)CN(C(C)C)CC2(F)C1
InChIInChI=1S/C12H22F2N2/c1-9(2)15-5-11(13)7-16(10(3)4)8-12(11,14)6-15/h9-10H,5-8H2,1-4H3
InChIKeyPOVCNXDKASPOQH-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.85
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-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 171444840) is 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CC(C)N1CC2(F)CN(C(C)C)CC2(F)C1.
What is the InChIKey of 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is POVCNXDKASPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-9(2)15-5-11(13)7-16(10(3)4)8-12(11,14)6-15/h9-10H,5-8H2,1-4H3.
What are the key properties of 3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
3a,6a-difluoro-2,5-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 232.32 g/mol, XLogP of 1.85, 2 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-di(propan-2-yl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 171444840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).