3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride

C8H18F2N2 — CID 177136763

IUPAC3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
SMILESCC.F.FC12CNCC1CNC2
InChIInChI=1S/C6H11FN2.C2H6.FH/c7-6-3-8-1-5(6)2-9-4-6;1-2;/h5,8-9H,1-4H2;1-2H3;1H
InChIKeyMRGOXXIWGXMAQK-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.70
Rot. Bonds

About 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride

3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride (PubChem CID 177136763) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride.

Molecular Properties

Compound Name3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
PubChem CID177136763
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
SMILESCC.F.FC12CNCC1CNC2
InChIInChI=1S/C6H11FN2.C2H6.FH/c7-6-3-8-1-5(6)2-9-4-6;1-2;/h5,8-9H,1-4H2;1-2H3;1H
InChIKeyMRGOXXIWGXMAQK-UHFFFAOYSA-N
XLogP0.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride with MolForge

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Related Compounds

3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 143675312
3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
CID 112563346
1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 75481813
(1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 55279054
(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 124660379
(3R)-4,4-difluoropyrrolidin-3-amine;hydrochloride
CID 170923039
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
CID 170913208
ethane;4-ethyl-3,3-difluoropyrrolidine
CID 177028431
(1R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 171036424
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 23309189
1-bromo-3-azabicyclo[3.1.0]hexane
CID 151929909

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride?
The IUPAC name of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride (CID 177136763) is 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride.
What is the SMILES notation for 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride?
The canonical SMILES for 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride is CC.F.FC12CNCC1CNC2.
What is the InChIKey of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride?
The InChIKey is MRGOXXIWGXMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2.C2H6.FH/c7-6-3-8-1-5(6)2-9-4-6;1-2;/h5,8-9H,1-4H2;1-2H3;1H.
What are the key properties of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride?
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride has a molecular weight of 180.24 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride is sourced from PubChem (CID 177136763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).