3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

C8H15FN2 — CID 176992944

IUPAC3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2(C)CNCC2(F)C1
InChIInChI=1S/C8H15FN2/c1-7-3-10-4-8(7,9)6-11(2)5-7/h10H,3-6H2,1-2H3
InChIKeyKDCUQYPSRIFYOT-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds

About 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole

3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 176992944) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID176992944
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCN1CC2(C)CNCC2(F)C1
InChIInChI=1S/C8H15FN2/c1-7-3-10-4-8(7,9)6-11(2)5-7/h10H,3-6H2,1-2H3
InChIKeyKDCUQYPSRIFYOT-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane
CID 162174730
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
3-fluoro-1,3-dimethylazetidine
CID 89296536
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
CID 138614511
1,4-dimethylpiperazine;methane;1,3,3,5,5-pentamethylpiperazine
CID 160555992
5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 176993044
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 155895873
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole (CID 176992944) is 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is CN1CC2(C)CNCC2(F)C1.
What is the InChIKey of 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KDCUQYPSRIFYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-7-3-10-4-8(7,9)6-11(2)5-7/h10H,3-6H2,1-2H3.
What are the key properties of 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole?
3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 158.22 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 176992944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).