(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine

C8H14F2N2 — CID 163273789

IUPAC(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
SMILESCN1CCN2CC(F)(F)C[C@H]2C1
InChIInChI=1S/C8H14F2N2/c1-11-2-3-12-6-8(9,10)4-7(12)5-11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyYDNKCBYCPLMIBZ-ZETCQYMHSA-N
MW176.21 g/mol
LogP0.64
Rot. Bonds

About (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine

(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 163273789) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID163273789
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
SMILESCN1CCN2CC(F)(F)C[C@H]2C1
InChIInChI=1S/C8H14F2N2/c1-11-2-3-12-6-8(9,10)4-7(12)5-11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyYDNKCBYCPLMIBZ-ZETCQYMHSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine (CID 163273789) is (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine is CN1CCN2CC(F)(F)C[C@H]2C1.
What is the InChIKey of (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is YDNKCBYCPLMIBZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-11-2-3-12-6-8(9,10)4-7(12)5-11/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine?
(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 176.21 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 163273789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).