7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol

C11H11FN2O — CID 90697577

IUPAC7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
SMILESOc1c2c(F)cccc2c2n1CCNC2
InChIInChI=1S/C11H11FN2O/c12-8-3-1-2-7-9-6-13-4-5-14(9)11(15)10(7)8/h1-3,13,15H,4-6H2
InChIKeyLJLVCHLOUQHBOA-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.59
Rot. Bonds

About 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol

7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol (PubChem CID 90697577) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol.

Molecular Properties

Compound Name7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
PubChem CID90697577
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
SMILESOc1c2c(F)cccc2c2n1CCNC2
InChIInChI=1S/C11H11FN2O/c12-8-3-1-2-7-9-6-13-4-5-14(9)11(15)10(7)8/h1-3,13,15H,4-6H2
InChIKeyLJLVCHLOUQHBOA-UHFFFAOYSA-N
XLogP1.59
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
9-Ethenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90720398
(1S)-1-propyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90723862
(1S)-1-methyl-9-propan-2-yl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90731220
9-(2-Methylprop-1-enyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90737444
7-Amino-3-ethyl-2-(2-fluoroethyl)isoindol-1-ol
CID 90740335
(1R)-1-propyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90743796
9-Cyclopentyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90746592
7-Amino-3-methyl-2-(2,2,2-trifluoroethyl)isoindol-1-ol
CID 90747922
9-Phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90769493

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
The IUPAC name of 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol (CID 90697577) is 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol.
What is the SMILES notation for 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
The canonical SMILES for 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol is Oc1c2c(F)cccc2c2n1CCNC2.
What is the InChIKey of 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
The InChIKey is LJLVCHLOUQHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-8-3-1-2-7-9-6-13-4-5-14(9)11(15)10(7)8/h1-3,13,15H,4-6H2.
What are the key properties of 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol has a molecular weight of 206.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol is sourced from PubChem (CID 90697577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).