2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol

C10H10F6N2O — CID 154722224

IUPAC2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
SMILESOC(c1ccc2n1CCNC2C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O/c11-9(12,13)7-5-1-2-6(8(19)10(14,15)16)18(5)4-3-17-7/h1-2,7-8,17,19H,3-4H2
InChIKeyKXDKNNINCFPQLZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.29
Rot. Bonds1

About 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol

2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol (PubChem CID 154722224) has the molecular formula C10H10F6N2O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
PubChem CID154722224
Molecular FormulaC10H10F6N2O
Molecular Weight288.19 g/mol
Exact Mass288.07
IUPAC Name2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
SMILESOC(c1ccc2n1CCNC2C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6N2O/c11-9(12,13)7-5-1-2-6(8(19)10(14,15)16)18(5)4-3-17-7/h1-2,7-8,17,19H,3-4H2
InChIKeyKXDKNNINCFPQLZ-UHFFFAOYSA-N
XLogP2.29
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
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(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155154344
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-[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
Ethanol, 1-(4,5,6,7-tetrahydro-4,5,7-trimethyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2,2,2-trifluoro-
CID 591801
(1R)-2-amino-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 70281244
3-(Methylamino)-1-[6-(trifluoromethyl)pyridin-2-yl]propan-1-ol
CID 135145291
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
(1R)-2-(cyclobutylamino)-1-[6-(trifluoromethyl)pyridin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol (CID 154722224) is 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol is OC(c1ccc2n1CCNC2C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol?
The InChIKey is KXDKNNINCFPQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O/c11-9(12,13)7-5-1-2-6(8(19)10(14,15)16)18(5)4-3-17-7/h1-2,7-8,17,19H,3-4H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol?
2,2,2-trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.29, 1 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-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol is sourced from PubChem (CID 154722224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).