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

C10H20Cl2F2N2 — CID 126844182

IUPAC(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
SMILESCC(C)[C@H]1CN2CC(F)(F)C[C@H]2CN1.Cl.Cl
InChIInChI=1S/C10H18F2N2.2ClH/c1-7(2)9-5-14-6-10(11,12)3-8(14)4-13-9;;/h7-9,13H,3-6H2,1-2H3;2*1H/t8-,9+;;/m0../s1
InChIKeyKVYHUQYJNRRSSP-DBEJOZALSA-N
MW277.19 g/mol
LogP2.17
Rot. Bonds1

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

(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride (PubChem CID 126844182) has the molecular formula C10H20Cl2F2N2 and a molecular weight of 277.19 g/mol. Its IUPAC name is (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
PubChem CID126844182
Molecular FormulaC10H20Cl2F2N2
Molecular Weight277.19 g/mol
Exact Mass276.10
IUPAC Name(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
SMILESCC(C)[C@H]1CN2CC(F)(F)C[C@H]2CN1.Cl.Cl
InChIInChI=1S/C10H18F2N2.2ClH/c1-7(2)9-5-14-6-10(11,12)3-8(14)4-13-9;;/h7-9,13H,3-6H2,1-2H3;2*1H/t8-,9+;;/m0../s1
InChIKeyKVYHUQYJNRRSSP-DBEJOZALSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,8aS)-7,7-difluoro-3-propan-2-yl-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 (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride?
The IUPAC name of (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride (CID 126844182) is (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride.
What is the SMILES notation for (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride?
The canonical SMILES for (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride is CC(C)[C@H]1CN2CC(F)(F)C[C@H]2CN1.Cl.Cl.
What is the InChIKey of (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride?
The InChIKey is KVYHUQYJNRRSSP-DBEJOZALSA-N. The full InChI is InChI=1S/C10H18F2N2.2ClH/c1-7(2)9-5-14-6-10(11,12)3-8(14)4-13-9;;/h7-9,13H,3-6H2,1-2H3;2*1H/t8-,9+;;/m0../s1.
What are the key properties of (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride?
(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride is sourced from PubChem (CID 126844182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).