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

C9H15F3N2 — CID 112734075

IUPAC2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)CN1CCN2CCCC2C1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)7-13-4-5-14-3-1-2-8(14)6-13/h8H,1-7H2
InChIKeyQQQHZJHUKXXORF-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.33
Rot. Bonds1

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

2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 112734075) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID112734075
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFC(F)(F)CN1CCN2CCCC2C1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)7-13-4-5-14-3-1-2-8(14)6-13/h8H,1-7H2
InChIKeyQQQHZJHUKXXORF-UHFFFAOYSA-N
XLogP1.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(S)-7,7-Difluorooctahydropyrrolo[1,2-a]pyrazine
CID 24903583
3-(fluoromethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 59215858
7,7-Difluorooctahydropyrrolo[1,2-a]pyrazine
CID 59215890
(8aS)-2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 59676713
2-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 72355240
(8aR)-7,7-difluoro-octahydropyrrolo[1,2-a]piperazine
CID 86330099
2-Ethyl-7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124117084
7,7-Difluoro-2-propan-2-yl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 124118982
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 112734075) is 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is FC(F)(F)CN1CCN2CCCC2C1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is QQQHZJHUKXXORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)7-13-4-5-14-3-1-2-8(14)6-13/h8H,1-7H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 208.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 112734075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).