ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C9H19FN2 — CID 144967260

IUPACethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC.FC1CC2CNCCN2C1
InChIInChI=1S/C7H13FN2.C2H6/c8-6-3-7-4-9-1-2-10(7)5-6;1-2/h6-7,9H,1-5H2;1-2H3
InChIKeyFUTXQOPPPLWQND-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.03
Rot. Bonds

About ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 144967260) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Nameethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID144967260
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Nameethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC.FC1CC2CNCCN2C1
InChIInChI=1S/C7H13FN2.C2H6/c8-6-3-7-4-9-1-2-10(7)5-6;1-2/h6-7,9H,1-5H2;1-2H3
InChIKeyFUTXQOPPPLWQND-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 144967260) is ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CC.FC1CC2CNCCN2C1.
What is the InChIKey of ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is FUTXQOPPPLWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2.C2H6/c8-6-3-7-4-9-1-2-10(7)5-6;1-2/h6-7,9H,1-5H2;1-2H3.
What are the key properties of ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 174.26 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 144967260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).