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

C7H13FN2 — CID 59676713

IUPAC(8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFN1CCN2CCC[C@H]2C1
InChIInChI=1S/C7H13FN2/c8-10-5-4-9-3-1-2-7(9)6-10/h7H,1-6H2/t7-/m0/s1
InChIKeyRVYBZIMVCAXFSR-ZETCQYMHSA-N
MW144.19 g/mol
LogP0.65
Rot. Bonds

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

(8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 59676713) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID59676713
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFN1CCN2CCC[C@H]2C1
InChIInChI=1S/C7H13FN2/c8-10-5-4-9-3-1-2-7(9)6-10/h7H,1-6H2/t7-/m0/s1
InChIKeyRVYBZIMVCAXFSR-ZETCQYMHSA-N
XLogP0.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-(fluoromethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 59215858
2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 72355240
2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734075
7,7-Difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124119987
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl-difluoroborane
CID 140833379
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl-difluoroborane
CID 140833394
(7S,8aS)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 140943223
(7S,8aS)-7-fluoro-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 146199370
6-fluoro-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 146438311
(8aS)-7,7-difluoro-2-methyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 163273789
(7S,8aR)-7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 170657539
7-fluoro-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 170657552

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 59676713) is (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FN1CCN2CCC[C@H]2C1.
What is the InChIKey of (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is RVYBZIMVCAXFSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13FN2/c8-10-5-4-9-3-1-2-7(9)6-10/h7H,1-6H2/t7-/m0/s1.
What are the key properties of (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 144.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 59676713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).