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

C12H8F12N2O — CID 154722292

IUPAC2-[1,1-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc2n1CCNC2(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F12N2O/c13-9(14,15)7(10(16,17)18)5-1-2-6(26(5)4-3-25-7)8(27,11(19,20)21)12(22,23)24/h1-2,25,27H,3-4H2
InChIKeyDZQFNARXQDQMJC-UHFFFAOYSA-N
MW424.19 g/mol
LogP3.72
Rot. Bonds1

About 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

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 (PubChem CID 154722292) has the molecular formula C12H8F12N2O and a molecular weight of 424.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[1,1-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID154722292
Molecular FormulaC12H8F12N2O
Molecular Weight424.19 g/mol
Exact Mass424.04
IUPAC Name2-[1,1-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc2n1CCNC2(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F12N2O/c13-9(14,15)7(10(16,17)18)5-1-2-6(26(5)4-3-25-7)8(27,11(19,20)21)12(22,23)24/h1-2,25,27H,3-4H2
InChIKeyDZQFNARXQDQMJC-UHFFFAOYSA-N
XLogP3.72
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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-[6-(Aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 142468391
2,2,2-Trifluoro-1-(2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl)ethanol
CID 142770215
7,7-Difluoro-2-methyl-1,3,4,6,8,9-hexahydropyrazino[1,2-a]indol-1-ol
CID 145054331
3-amino-2-[(3S)-3-amino-7-(4-fluorophenyl)-1,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 145145991
3-Amino-2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 145146175
(2R)-3-amino-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 146691757
7-Fluoro-3-phenyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-8-ol
CID 162383473
2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-ol
CID 166876450
3-(3,6-Difluoro-2-pyridinyl)pyrrolidin-3-ol
CID 129979460

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC(c1ccc2n1CCNC2(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is DZQFNARXQDQMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F12N2O/c13-9(14,15)7(10(16,17)18)5-1-2-6(26(5)4-3-25-7)8(27,11(19,20)21)12(22,23)24/h1-2,25,27H,3-4H2.
What are the key properties of 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?
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 has a molecular weight of 424.19 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154722292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).