9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol

C18H15F3N2O — CID 90769493

IUPAC9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
SMILESOc1c2c(C(F)(F)F)cc(-c3ccccc3)cc2c2n1CCNC2
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)14-9-12(11-4-2-1-3-5-11)8-13-15-10-22-6-7-23(15)17(24)16(13)14/h1-5,8-9,22,24H,6-7,10H2
InChIKeyLMADWWYFTGSVMP-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.14
Rot. Bonds1

About 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol

9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol (PubChem CID 90769493) has the molecular formula C18H15F3N2O and a molecular weight of 332.32 g/mol. Its IUPAC name is 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol.

Molecular Properties

Compound Name9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
PubChem CID90769493
Molecular FormulaC18H15F3N2O
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
SMILESOc1c2c(C(F)(F)F)cc(-c3ccccc3)cc2c2n1CCNC2
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)14-9-12(11-4-2-1-3-5-11)8-13-15-10-22-6-7-23(15)17(24)16(13)14/h1-5,8-9,22,24H,6-7,10H2
InChIKeyLMADWWYFTGSVMP-UHFFFAOYSA-N
XLogP4.14
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;hydrochloride
CID 168280533
(2R)-4-amino-5-fluoro-8'-methylspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[1,2-b]isoindole]-6'-ol
CID 53837873
4-amino-5,8-difluoro-6'-hydroxyspiro[1H-quinazoline-2,2'-3,4-dihydro-1H-pyrido[2,1-a]isoindole]-8'-carbonitrile
CID 54243312
3-Piperidin-4-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-ol
CID 60046831
9-(2-Methyl-4-methylsulfonylphenyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90695188
7-Fluoro-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol
CID 90697577
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
(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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
The IUPAC name of 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol (CID 90769493) is 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol.
What is the SMILES notation for 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
The canonical SMILES for 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol is Oc1c2c(C(F)(F)F)cc(-c3ccccc3)cc2c2n1CCNC2.
What is the InChIKey of 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
The InChIKey is LMADWWYFTGSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)14-9-12(11-4-2-1-3-5-11)8-13-15-10-22-6-7-23(15)17(24)16(13)14/h1-5,8-9,22,24H,6-7,10H2.
What are the key properties of 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol?
9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol has a molecular weight of 332.32 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrazino[1,2-b]isoindol-6-ol is sourced from PubChem (CID 90769493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).