2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone

C16H10F9N3O4S — CID 171928316

IUPAC2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
SMILESO=C(O)C(F)(F)F.O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C14H9F6N3O2S.C2HF3O2/c15-13(16,17)9-5-22-3-4-23(6-10(22)21-9)12(25)8-2-1-7(26-8)11(24)14(18,19)20;3-2(4,5)1(6)7/h1-2,5H,3-4,6H2;(H,6,7)
InChIKeyNPPAMRQBOAQXQW-UHFFFAOYSA-N
MW511.32 g/mol
LogP4.00
Rot. Bonds2

About 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone

2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone (PubChem CID 171928316) has the molecular formula C16H10F9N3O4S and a molecular weight of 511.32 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
PubChem CID171928316
Molecular FormulaC16H10F9N3O4S
Molecular Weight511.32 g/mol
Exact Mass511.02
IUPAC Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
SMILESO=C(O)C(F)(F)F.O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C14H9F6N3O2S.C2HF3O2/c15-13(16,17)9-5-22-3-4-23(6-10(22)21-9)12(25)8-2-1-7(26-8)11(24)14(18,19)20;3-2(4,5)1(6)7/h1-2,5H,3-4,6H2;(H,6,7)
InChIKeyNPPAMRQBOAQXQW-UHFFFAOYSA-N
XLogP4.00
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 46960158
1-[5-(4-cyclopropylpiperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
CID 87353169
1-[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171932303
7-oxido-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 145287300
2,2,2-trifluoro-1-[5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 87353086
2,2,2-trifluoro-1-[5-(1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium-7-carbonyl)thiophen-2-yl]ethanone
CID 121300140
3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 20628254
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10200270
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
2,2,2-trifluoro-1-[5-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 69184024
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 171928264
phenol;2,2,2-trifluoroacetate;2,2,2-trifluoro-1-[5-(1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium-7-carbonyl)thiophen-2-yl]ethanone
CID 121300139

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone (CID 171928316) is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone is O=C(O)C(F)(F)F.O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is NPPAMRQBOAQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O2S.C2HF3O2/c15-13(16,17)9-5-22-3-4-23(6-10(22)21-9)12(25)8-2-1-7(26-8)11(24)14(18,19)20;3-2(4,5)1(6)7/h1-2,5H,3-4,6H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone?
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 511.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 171928316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).