1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine

C73H109ClF10I7N17O10S4 — CID 158046659

About 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine

1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine (PubChem CID 158046659) has the molecular formula C73H109ClF10I7N17O10S4 and a molecular weight of 2626.81 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine.

Molecular Properties

• Compound Name: 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine
• PubChem CID: 158046659
• Molecular Formula: C73H109ClF10I7N17O10S4
• Molecular Weight: 2626.81 g/mol
• Exact Mass: 2625.03
• IUPAC Name: 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine
• SMILES: C.C.C.CC(F)(F)CC1CC(=O)N(CCl)C1.CC(F)(F)CC1CC(=O)N(CO)C1.COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C)nc2s1.COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C)nc2s1.COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C)nc2s1.COCc1nn2cc(C)nc2s1.IC(I)I.ICI.II
• InChI: InChI=1S/3C15H20F2N4O2S.C8H12ClF2NO.C8H13F2NO2.C7H9N3OS.CHI3.CH2I2.3CH4.I2/c3*1-9-11(21-14(18-9)24-12(19-21)8-23-3)7-20-6-10(4-13(20)22)5-15(2,16)17;1-8(10,11)3-6-2-7(13)12(4-6)5-9;1-8(9,10)3-6-2-7(13)11(4-6)5-12;1-5-3-10-7(8-5)12-6(9-10)4-11-2;2-1(3)4;2-1-3;;;;1-2/h3*10H,4-8H2,1-3H3;6H,2-5H2,1H3;6,12H,2-5H2,1H3;3H,4H2,1-2H3;1H;1H2;3*1H4
• InChIKey: FIZMYVKCQLYWPH-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 279.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.81
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine?

The IUPAC name of 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine (CID 158046659) is 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine.

What is the SMILES notation for 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine?

The canonical SMILES for 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine is C.C.C.CC(F)(F)CC1CC(=O)N(CCl)C1.CC(F)(F)CC1CC(=O)N(CO)C1.COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C)nc2s1.COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C)nc2s1.COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C)nc2s1.COCc1nn2cc(C)nc2s1.IC(I)I.ICI.II.

What is the InChIKey of 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine?

The InChIKey is FIZMYVKCQLYWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H20F2N4O2S.C8H12ClF2NO.C8H13F2NO2.C7H9N3OS.CHI3.CH2I2.3CH4.I2/c3*1-9-11(21-14(18-9)24-12(19-21)8-23-3)7-20-6-10(4-13(20)22)5-15(2,16)17;1-8(10,11)3-6-2-7(13)12(4-6)5-9;1-8(9,10)3-6-2-7(13)11(4-6)5-12;1-5-3-10-7(8-5)12-6(9-10)4-11-2;2-1(3)4;2-1-3;;;;1-2/h3*10H,4-8H2,1-3H3;6H,2-5H2,1H3;6,12H,2-5H2,1H3;3H,4H2,1-2H3;1H;1H2;3*1H4;.

What are the key properties of 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine?

1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine has a molecular weight of 2626.81 g/mol, XLogP of 20.14, 26 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine is sourced from PubChem (CID 158046659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).