1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C9H17FN2 — CID 130637855

IUPAC1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2CCN(CCF)C2C1
InChIInChI=1S/C9H17FN2/c1-11-6-8-2-4-12(5-3-10)9(8)7-11/h8-9H,2-7H2,1H3
InChIKeyGUAYOMYZMFUIPJ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.59
Rot. Bonds2

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

1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 130637855) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID130637855
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2CCN(CCF)C2C1
InChIInChI=1S/C9H17FN2/c1-11-6-8-2-4-12(5-3-10)9(8)7-11/h8-9H,2-7H2,1H3
InChIKeyGUAYOMYZMFUIPJ-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 130637855) is 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1CC2CCN(CCF)C2C1.
What is the InChIKey of 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is GUAYOMYZMFUIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-11-6-8-2-4-12(5-3-10)9(8)7-11/h8-9H,2-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 172.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 130637855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).