2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol

C22H18F6N2O — CID 154722174

IUPAC2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol
SMILESOC(c1ccccc1)(c1ccc2n1CCNC2(c1ccccc1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H18F6N2O/c23-21(24,25)19(15-7-3-1-4-8-15)17-11-12-18(30(17)14-13-29-19)20(31,22(26,27)28)16-9-5-2-6-10-16/h1-12,29,31H,13-14H2
InChIKeyVEAHBDTUTJMBAR-UHFFFAOYSA-N
MW440.39 g/mol
LogP4.70
Rot. Bonds3

About 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol

2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol (PubChem CID 154722174) has the molecular formula C22H18F6N2O and a molecular weight of 440.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol
PubChem CID154722174
Molecular FormulaC22H18F6N2O
Molecular Weight440.39 g/mol
Exact Mass440.13
IUPAC Name2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol
SMILESOC(c1ccccc1)(c1ccc2n1CCNC2(c1ccccc1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H18F6N2O/c23-21(24,25)19(15-7-3-1-4-8-15)17-11-12-18(30(17)14-13-29-19)20(31,22(26,27)28)16-9-5-2-6-10-16/h1-12,29,31H,13-14H2
InChIKeyVEAHBDTUTJMBAR-UHFFFAOYSA-N
XLogP4.70
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrrolo[3,2-b]pyridine-5-methanol, 6-[(4-fluorophenyl)methyl]-2,3-dihydro-3,3-dimethyl-
CID 118169681
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
1,1,1,3,3,3-Hexafluoro-2-[2-methyl-1-[[2-methyl-6-[4-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]-2,3-dihydroindol-5-yl]propan-2-ol
CID 11512292
1,1,1,3,3,3-Hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol
CID 11619011
4,5-Bis(4-fluorophenyl)-alpha,alpha-di(trifluoromethyl)-1H-pyrrole-2-methanol
CID 12831594
2-[5-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)-1H-pyrrol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 13371344
4,5-Bis(4-fluorophenyl)-1-methyl-alpha,alpha-bis(trifluoromethyl)-1H-pyrrole-2-methanol
CID 13371350
1-(8-Fluoro-1,2,3,4-tetrahydro-2-methylpyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol
CID 57876116
2-(2,4-difluorophenyl)-1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)propan-2-ol
CID 68387766
1,1,1,3,3,3-Hexafluoro-2-(4'-((4-((5-fluoro-1H-indol-2-yl)methyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol
CID 71470833

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol?
The IUPAC name of 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) is 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol is OC(c1ccccc1)(c1ccc2n1CCNC2(c1ccccc1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol?
The InChIKey is VEAHBDTUTJMBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N2O/c23-21(24,25)19(15-7-3-1-4-8-15)17-11-12-18(30(17)14-13-29-19)20(31,22(26,27)28)16-9-5-2-6-10-16/h1-12,29,31H,13-14H2.
What are the key properties of 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol?
2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol has a molecular weight of 440.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenyl-1-[1-phenyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]ethanol is sourced from PubChem (CID 154722174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).