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

C8H15Cl2F2N3O — CID 66927053

IUPAC7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CN2CC(F)(F)CC2CN1
InChIInChI=1S/C8H13F2N3O.2ClH/c9-8(10)1-5-2-12-6(7(11)14)3-13(5)4-8;;/h5-6,12H,1-4H2,(H2,11,14);2*1H
InChIKeyMUEZRKBNXXPJMS-UHFFFAOYSA-N
MW278.13 g/mol
LogP-0.00
Rot. Bonds1

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

7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride (PubChem CID 66927053) has the molecular formula C8H15Cl2F2N3O and a molecular weight of 278.13 g/mol. Its IUPAC name is 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride
PubChem CID66927053
Molecular FormulaC8H15Cl2F2N3O
Molecular Weight278.13 g/mol
Exact Mass277.06
IUPAC Name7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CN2CC(F)(F)CC2CN1
InChIInChI=1S/C8H13F2N3O.2ClH/c9-8(10)1-5-2-12-6(7(11)14)3-13(5)4-8;;/h5-6,12H,1-4H2,(H2,11,14);2*1H
InChIKeyMUEZRKBNXXPJMS-UHFFFAOYSA-N
XLogP-0.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride?
The IUPAC name of 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride (CID 66927053) is 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride?
The canonical SMILES for 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CN2CC(F)(F)CC2CN1.
What is the InChIKey of 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride?
The InChIKey is MUEZRKBNXXPJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O.2ClH/c9-8(10)1-5-2-12-6(7(11)14)3-13(5)4-8;;/h5-6,12H,1-4H2,(H2,11,14);2*1H.
What are the key properties of 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride?
7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride has a molecular weight of 278.13 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 66927053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).