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

C7H14Cl2F2N2 — CID 50988389

IUPAC(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
SMILESCl.Cl.FC1(F)C[C@H]2CNCCN2C1
InChIInChI=1S/C7H12F2N2.2ClH/c8-7(9)3-6-4-10-1-2-11(6)5-7;;/h6,10H,1-5H2;2*1H/t6-;;/m0../s1
InChIKeyQZJJVCXSBJSFOG-ILKKLZGPSA-N
MW235.10 g/mol
LogP1.14
Rot. Bonds

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

(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride (PubChem CID 50988389) has the molecular formula C7H14Cl2F2N2 and a molecular weight of 235.10 g/mol. Its IUPAC name is (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
PubChem CID50988389
Molecular FormulaC7H14Cl2F2N2
Molecular Weight235.10 g/mol
Exact Mass234.05
IUPAC Name(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
SMILESCl.Cl.FC1(F)C[C@H]2CNCCN2C1
InChIInChI=1S/C7H12F2N2.2ClH/c8-7(9)3-6-4-10-1-2-11(6)5-7;;/h6,10H,1-5H2;2*1H/t6-;;/m0../s1
InChIKeyQZJJVCXSBJSFOG-ILKKLZGPSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 51.14
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;dihydrochloride 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;dihydrochloride?
The IUPAC name of (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride (CID 50988389) is (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride.
What is the SMILES notation for (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride?
The canonical SMILES for (8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is QZJJVCXSBJSFOG-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H12F2N2.2ClH/c8-7(9)3-6-4-10-1-2-11(6)5-7;;/h6,10H,1-5H2;2*1H/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;dihydrochloride?
(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride has a molecular weight of 235.10 g/mol, XLogP of 1.14, 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;dihydrochloride is sourced from PubChem (CID 50988389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).