6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine

C12H20F2N2 — CID 123867464

IUPAC6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCN2C(C(F)CCCF)=CCC2C1
InChIInChI=1S/C12H20F2N2/c1-15-7-8-16-10(9-15)4-5-12(16)11(14)3-2-6-13/h5,10-11H,2-4,6-9H2,1H3
InChIKeyIDABMTIGMGFDMK-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.98
Rot. Bonds4

About 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine

6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 123867464) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID123867464
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCN2C(C(F)CCCF)=CCC2C1
InChIInChI=1S/C12H20F2N2/c1-15-7-8-16-10(9-15)4-5-12(16)11(14)3-2-6-13/h5,10-11H,2-4,6-9H2,1H3
InChIKeyIDABMTIGMGFDMK-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine (CID 123867464) is 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine is CN1CCN2C(C(F)CCCF)=CCC2C1.
What is the InChIKey of 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is IDABMTIGMGFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2/c1-15-7-8-16-10(9-15)4-5-12(16)11(14)3-2-6-13/h5,10-11H,2-4,6-9H2,1H3.
What are the key properties of 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine?
6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 230.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 123867464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).