3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C7H13FN2 — CID 143675312

IUPAC3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CCC2(F)CNCC12
InChIInChI=1S/C7H13FN2/c1-10-3-2-7(8)5-9-4-6(7)10/h6,9H,2-5H2,1H3
InChIKeyQWQALTRVNJENBG-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.00
Rot. Bonds

About 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole

3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 143675312) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID143675312
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CCC2(F)CNCC12
InChIInChI=1S/C7H13FN2/c1-10-3-2-7(8)5-9-4-6(7)10/h6,9H,2-5H2,1H3
InChIKeyQWQALTRVNJENBG-UHFFFAOYSA-N
XLogP0.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-octahydropyrrolo(3,4-b)pyrrole
CID 16228899
rac-(3aR,6aR)-1-methyl-octahydropyrrolo(2,3-c)pyrrole
CID 17567361
rac-(3aR,6aR)-5-methyl-octahydropyrrolo(3,4-b)pyrrole
CID 51624593
Octahydropyrrolo[3,4-b]pyrrole
CID 11815320
1-Methyloctahydropyrrolo[3,4-B]pyrrole
CID 15070001
5-Fluoromethyl-2-methyl-2,7-diazabicyclo[3.3.0]octane
CID 19100943
5-Fluoro-7-methyl-2,7-diazabicyclo[3.3.0]octane
CID 19100975
3-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole
CID 68499599
3a-(Fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 135346570
3,3-difluoro-2,3a,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-b]pyrrole
CID 142528314
(3aR,6aS)-3a-ethyl-6a-fluoro-1-methyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-c]pyrrole
CID 144589819
3,3-Difluoro-5-methyl-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 166797058

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 143675312) is 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1CCC2(F)CNCC12.
What is the InChIKey of 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is QWQALTRVNJENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-3-2-7(8)5-9-4-6(7)10/h6,9H,2-5H2,1H3.
What are the key properties of 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 144.19 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 143675312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).