5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C11H20F2N2 — CID 176993044

IUPAC5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2(F)CN(C(C)(C)C)CC2(F)C1
InChIInChI=1S/C11H20F2N2/c1-9(2,3)15-7-10(12)5-14(4)6-11(10,13)8-15/h5-8H2,1-4H3
InChIKeyRIAGYKMDAYNFJV-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.46
Rot. Bonds

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

5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 176993044) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID176993044
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2(F)CN(C(C)(C)C)CC2(F)C1
InChIInChI=1S/C11H20F2N2/c1-9(2,3)15-7-10(12)5-14(4)6-11(10,13)8-15/h5-8H2,1-4H3
InChIKeyRIAGYKMDAYNFJV-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 177072830
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CID 118441648
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
3-fluoro-1,3-dimethylazetidine
CID 89296536
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
1-tert-butyl-3-methylimidazolidine
CID 89297174
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 176992944
2,8-ditert-butyl-2,5,8-triazaspiro[3.5]nonane
CID 170939414
3-(1-tert-butyl-3-fluoroazetidin-3-yl)propanoic acid
CID 162475426
1-tert-butyl-3,3-difluoro-4-methoxypiperidine
CID 146520406

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 176993044) is 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CN1CC2(F)CN(C(C)(C)C)CC2(F)C1.
What is the InChIKey of 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is RIAGYKMDAYNFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-9(2,3)15-7-10(12)5-14(4)6-11(10,13)8-15/h5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 218.29 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 176993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).