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

C11H20F2N2O — CID 102977497

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)COCCN1CCN2CCCC2C1
InChIInChI=1S/C11H20F2N2O/c12-11(13)9-16-7-6-14-4-5-15-3-1-2-10(15)8-14/h10-11H,1-9H2
InChIKeyWGWOCFQOOIIMDZ-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.05
Rot. Bonds5

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

2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 102977497) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID102977497
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)COCCN1CCN2CCCC2C1
InChIInChI=1S/C11H20F2N2O/c12-11(13)9-16-7-6-14-4-5-15-3-1-2-10(15)8-14/h10-11H,1-9H2
InChIKeyWGWOCFQOOIIMDZ-UHFFFAOYSA-N
XLogP1.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 102977497) is 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FC(F)COCCN1CCN2CCCC2C1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WGWOCFQOOIIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c12-11(13)9-16-7-6-14-4-5-15-3-1-2-10(15)8-14/h10-11H,1-9H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 234.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 102977497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).