(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C7H12F2N2 — CID 24903583

IUPAC(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC1(F)C[C@H]2CNCCN2C1
InChIInChI=1S/C7H12F2N2/c8-7(9)3-6-4-10-1-2-11(6)5-7/h6,10H,1-5H2/t6-/m0/s1
InChIKeyWRZOXGCZOWTRIE-LURJTMIESA-N
MW162.18 g/mol
LogP0.30
Rot. Bonds

About (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 24903583) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID24903583
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC1(F)C[C@H]2CNCCN2C1
InChIInChI=1S/C7H12F2N2/c8-7(9)3-6-4-10-1-2-11(6)5-7/h6,10H,1-5H2/t6-/m0/s1
InChIKeyWRZOXGCZOWTRIE-LURJTMIESA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 24903583) is (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FC1(F)C[C@H]2CNCCN2C1.
What is the InChIKey of (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WRZOXGCZOWTRIE-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)3-6-4-10-1-2-11(6)5-7/h6,10H,1-5H2/t6-/m0/s1.
What are the key properties of (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 162.18 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 24903583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).