7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol

C12H16F2N2O — CID 145054331

IUPAC7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol
SMILESCN1CCn2c(cc3c2CC(F)(F)CC3)C1O
InChIInChI=1S/C12H16F2N2O/c1-15-4-5-16-9(11(15)17)6-8-2-3-12(13,14)7-10(8)16/h6,11,17H,2-5,7H2,1H3
InChIKeyCWSAFVUVLSMRGS-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.55
Rot. Bonds

About 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol

7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol (PubChem CID 145054331) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol
PubChem CID145054331
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol
SMILESCN1CCn2c(cc3c2CC(F)(F)CC3)C1O
InChIInChI=1S/C12H16F2N2O/c1-15-4-5-16-9(11(15)17)6-8-2-3-12(13,14)7-10(8)16/h6,11,17H,2-5,7H2,1H3
InChIKeyCWSAFVUVLSMRGS-UHFFFAOYSA-N
XLogP1.55
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol with MolForge

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Related Compounds

((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-3-yl)-methanol
CID 44329283
((R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-3-yl)-methanol
CID 44329299
(4,5,7-Trimethyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-methanol
CID 595357
1H-Pyrrolo[3,2-b]pyridine-5-methanol, 6-[(4-fluorophenyl)methyl]-2,3-dihydro-3,3-dimethyl-
CID 118169681
1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
(9-Butyl-1-methylpyrido[3,4-b]indol-3-yl)methanol;hydrobromide
CID 46907564
(1-methyl-1H-indol-2-yl)methanol
CID 295652
2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol
CID 154722174
1,1,1-trifluoro-2-[1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 154722176
2,2,2-Trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
CID 154722224
2-[1,1-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 154722292
3,4,6,7,8,9-hexahydro-1H-[1,4]oxazino[4,3-a]indole
CID 24755165

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol?
The IUPAC name of 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol (CID 145054331) is 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol.
What is the SMILES notation for 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol?
The canonical SMILES for 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol is CN1CCn2c(cc3c2CC(F)(F)CC3)C1O.
What is the InChIKey of 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol?
The InChIKey is CWSAFVUVLSMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-15-4-5-16-9(11(15)17)6-8-2-3-12(13,14)7-10(8)16/h6,11,17H,2-5,7H2,1H3.
What are the key properties of 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol?
7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol has a molecular weight of 242.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol is sourced from PubChem (CID 145054331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).