acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite

C88H85F31N24O10S — CID 159286635

About acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite

acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite (PubChem CID 159286635) has the molecular formula C88H85F31N24O10S and a molecular weight of 2259.81 g/mol. Its IUPAC name is acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite.

Molecular Properties

• Compound Name: acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite
• PubChem CID: 159286635
• Molecular Formula: C88H85F31N24O10S
• Molecular Weight: 2259.81 g/mol
• Exact Mass: 2258.61
• IUPAC Name: acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite
• SMILES: C.C.C.C.CC(=O)O.CSF.C[C@H](Oc1ncc(-c2cn3c(C4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c(C4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@H]4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(NCC(=O)C3CC3(F)F)cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.O=C(O)C1CC1(F)F
• InChI: InChI=1S/C17H14F6N4O2.3C16H11F6N5O.C12H11F4N5O.C4H4F2O2.C2H4O2.CH3FS.4CH4/c1-8(17(21,22)23)29-15-11(18)2-9(4-27-15)12-5-25-14(7-24-12)26-6-13(28)10-3-16(10,19)20;3*1-7(16(20,21)22)28-14-10(17)2-8(4-24-14)11-6-27-12(5-23-11)25-26-13(27)9-3-15(9,18)19;1-6(12(14,15)16)22-11-8(13)2-7(3-20-11)9-4-19-10(21-17)5-18-9;5-4(6)1-2(4)3(7)8;1-2(3)4;1-3-2;;;;/h2,4-5,7-8,10H,3,6H2,1H3,(H,25,26);3*2,4-7,9H,3H2,1H3;2-6H,17H2,1H3,(H,19,21);2H,1H2,(H,7,8);1H3,(H,3,4);1H3;4*1H4/t8-,10?;2*7-,9?;7-,9+;6-;;;;;;;/m00000......./s1
• InChIKey: BWRJSCRJFCJZIJ-FYDIXMOESA-N
• XLogP: 21.86
• TPSA: 433.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.81
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite?

The IUPAC name of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite (CID 159286635) is acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite.

What is the SMILES notation for acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite?

The canonical SMILES for acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite is C.C.C.C.CC(=O)O.CSF.C[C@H](Oc1ncc(-c2cn3c(C4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c(C4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cn3c([C@H]4CC4(F)F)nnc3cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(NCC(=O)C3CC3(F)F)cn2)cc1F)C(F)(F)F.C[C@H](Oc1ncc(-c2cnc(NN)cn2)cc1F)C(F)(F)F.O=C(O)C1CC1(F)F.

What is the InChIKey of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite?

The InChIKey is BWRJSCRJFCJZIJ-FYDIXMOESA-N. The full InChI is InChI=1S/C17H14F6N4O2.3C16H11F6N5O.C12H11F4N5O.C4H4F2O2.C2H4O2.CH3FS.4CH4/c1-8(17(21,22)23)29-15-11(18)2-9(4-27-15)12-5-25-14(7-24-12)26-6-13(28)10-3-16(10,19)20;3*1-7(16(20,21)22)28-14-10(17)2-8(4-24-14)11-6-27-12(5-23-11)25-26-13(27)9-3-15(9,18)19;1-6(12(14,15)16)22-11-8(13)2-7(3-20-11)9-4-19-10(21-17)5-18-9;5-4(6)1-2(4)3(7)8;1-2(3)4;1-3-2;;;;/h2,4-5,7-8,10H,3,6H2,1H3,(H,25,26);3*2,4-7,9H,3H2,1H3;2-6H,17H2,1H3,(H,19,21);2H,1H2,(H,7,8);1H3,(H,3,4);1H3;4*1H4/t8-,10?;2*7-,9?;7-,9+;6-;;;;;;;/m00000......./s1.

What are the key properties of acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite?

acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite has a molecular weight of 2259.81 g/mol, XLogP of 21.86, 24 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2,2-difluorocyclopropane-1-carboxylic acid;1-(2,2-difluorocyclopropyl)-2-[[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]amino]ethanone;3-[(1R)-2,2-difluorocyclopropyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;bis(3-(2,2-difluorocyclopropyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine);[5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]pyrazin-2-yl]hydrazine;methane;methyl thiohypofluorite is sourced from PubChem (CID 159286635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).