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

C7H13FN2 — CID 19100975

IUPAC3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2NCCC2(F)C1
InChIInChI=1S/C7H13FN2/c1-10-4-6-7(8,5-10)2-3-9-6/h6,9H,2-5H2,1H3
InChIKeyPTFSLYWZOWDDPV-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.00
Rot. Bonds

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

3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 19100975) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID19100975
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2NCCC2(F)C1
InChIInChI=1S/C7H13FN2/c1-10-4-6-7(8,5-10)2-3-9-6/h6,9H,2-5H2,1H3
InChIKeyPTFSLYWZOWDDPV-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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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 19100975) is 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1CC2NCCC2(F)C1.
What is the InChIKey of 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is PTFSLYWZOWDDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-4-6-7(8,5-10)2-3-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 3a-fluoro-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
3a-fluoro-5-methyl-1,2,3,4,6,6a-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-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 19100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).