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

C15H21FN2 — CID 79930326

IUPAC2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccccc1CCN1CCN2CCCC2C1
InChIInChI=1S/C15H21FN2/c16-15-6-2-1-4-13(15)7-9-17-10-11-18-8-3-5-14(18)12-17/h1-2,4,6,14H,3,5,7-12H2
InChIKeyFGJKDBFZTPYSFD-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.15
Rot. Bonds3

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

2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79930326) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79930326
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccccc1CCN1CCN2CCCC2C1
InChIInChI=1S/C15H21FN2/c16-15-6-2-1-4-13(15)7-9-17-10-11-18-8-3-5-14(18)12-17/h1-2,4,6,14H,3,5,7-12H2
InChIKeyFGJKDBFZTPYSFD-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
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CID 172905616
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
2-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 95461564
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
2-[2-(5-chlorothiophen-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 106043649
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]aniline
CID 79940825
(8aS)-2-[4,4-bis(4-fluorophenyl)butyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1356088

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79930326) is 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Fc1ccccc1CCN1CCN2CCCC2C1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is FGJKDBFZTPYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-15-6-2-1-4-13(15)7-9-17-10-11-18-8-3-5-14(18)12-17/h1-2,4,6,14H,3,5,7-12H2.
What are the key properties of 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 248.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79930326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).