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

C8H15FN2 — CID 135346570

IUPAC3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2NCCC2(CF)C1
InChIInChI=1S/C8H15FN2/c1-11-4-7-8(5-9,6-11)2-3-10-7/h7,10H,2-6H2,1H3
InChIKeyNCTDEVNCHPKKBU-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds1

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

3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 135346570) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID135346570
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1CC2NCCC2(CF)C1
InChIInChI=1S/C8H15FN2/c1-11-4-7-8(5-9,6-11)2-3-10-7/h7,10H,2-6H2,1H3
InChIKeyNCTDEVNCHPKKBU-UHFFFAOYSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 135346570) is 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1CC2NCCC2(CF)C1.
What is the InChIKey of 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is NCTDEVNCHPKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11-4-7-8(5-9,6-11)2-3-10-7/h7,10H,2-6H2,1H3.
What are the key properties of 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 158.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-(fluoromethyl)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 135346570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).