7-(trifluoromethyl)pyrazino[2,1-a]isoindole

C12H7F3N2 — CID 91562907

IUPAC7-(trifluoromethyl)pyrazino[2,1-a]isoindole
SMILESFC(F)(F)c1cccc2c1cn1ccncc21
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-3-1-2-8-9(10)7-17-5-4-16-6-11(8)17/h1-7H
InChIKeyNIIQQJRWKGHPBH-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.51
Rot. Bonds

About 7-(trifluoromethyl)pyrazino[2,1-a]isoindole

7-(trifluoromethyl)pyrazino[2,1-a]isoindole (PubChem CID 91562907) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)pyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name7-(trifluoromethyl)pyrazino[2,1-a]isoindole
PubChem CID91562907
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name7-(trifluoromethyl)pyrazino[2,1-a]isoindole
SMILESFC(F)(F)c1cccc2c1cn1ccncc21
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-3-1-2-8-9(10)7-17-5-4-16-6-11(8)17/h1-7H
InChIKeyNIIQQJRWKGHPBH-UHFFFAOYSA-N
XLogP3.51
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-yl-4-(trifluoromethyl)indazole
CID 90252813
1-hydroxy-3-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 137437666
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530
7-(trifluoromethyl)phenanthridine
CID 122219612
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
4-chloro-8-(trifluoromethyl)cinnoline
CID 68581409
3-imidazol-1-yl-4-(trifluoromethyl)pyridine
CID 141130446
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
(3R)-2-methyl-3-[4-(trifluoromethyl)indol-1-yl]butan-2-ol
CID 150439091
1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
CID 117159476
pyrazolo[1,5-a]pyrazin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 103129340
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)pyrazino[2,1-a]isoindole?
The IUPAC name of 7-(trifluoromethyl)pyrazino[2,1-a]isoindole (CID 91562907) is 7-(trifluoromethyl)pyrazino[2,1-a]isoindole.
What is the SMILES notation for 7-(trifluoromethyl)pyrazino[2,1-a]isoindole?
The canonical SMILES for 7-(trifluoromethyl)pyrazino[2,1-a]isoindole is FC(F)(F)c1cccc2c1cn1ccncc21.
What is the InChIKey of 7-(trifluoromethyl)pyrazino[2,1-a]isoindole?
The InChIKey is NIIQQJRWKGHPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)10-3-1-2-8-9(10)7-17-5-4-16-6-11(8)17/h1-7H.
What are the key properties of 7-(trifluoromethyl)pyrazino[2,1-a]isoindole?
7-(trifluoromethyl)pyrazino[2,1-a]isoindole has a molecular weight of 236.20 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)pyrazino[2,1-a]isoindole is sourced from PubChem (CID 91562907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).