1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone

C139H101F23N4O11 — CID 159049950

About 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone

1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone (PubChem CID 159049950) has the molecular formula C139H101F23N4O11 and a molecular weight of 2440.31 g/mol. Its IUPAC name is 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone.

Molecular Properties

• Compound Name: 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone
• PubChem CID: 159049950
• Molecular Formula: C139H101F23N4O11
• Molecular Weight: 2440.31 g/mol
• Exact Mass: 2438.71
• IUPAC Name: 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone
• SMILES: CN(C)c1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.COc1cccc(-c2ccc(F)c(C(=O)C(F)(F)F)c2F)c1.COc1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.COc1cccc(-c2ccc(F)c(C)c2F)c1.COc1cccc(-c2ccc(F)cc2F)c1.COc1ccnc(-c2ccc(F)c(C(=O)c3ccc(C)cc3)c2F)c1.Cc1ccc(C(=O)c2c(F)ccc(-c3cccc(N(C)C)c3)c2F)cc1.[C-]#[N+]c1c(F)ccc(-c2cccc(OC)c2)c1F
• InChI: InChI=1S/C22H19F2NO.C21H15F4NO.C20H12F4O2.C20H15F2NO2.C15H9F5O2.C14H9F2NO.C14H12F2O.C13H10F2O/c1-14-7-9-15(10-8-14)22(26)20-19(23)12-11-18(21(20)24)16-5-4-6-17(13-16)25(2)3;1-26(2)14-5-3-4-12(10-14)15-8-9-17(23)19(20(15)25)21(27)16-7-6-13(22)11-18(16)24;1-26-13-4-2-3-11(9-13)14-7-8-16(22)18(19(14)24)20(25)15-6-5-12(21)10-17(15)23;1-12-3-5-13(6-4-12)20(24)18-16(21)8-7-15(19(18)22)17-11-14(25-2)9-10-23-17;1-22-9-4-2-3-8(7-9)10-5-6-11(16)12(13(10)17)14(21)15(18,19)20;1-17-14-12(15)7-6-11(13(14)16)9-4-3-5-10(8-9)18-2;1-9-13(15)7-6-12(14(9)16)10-4-3-5-11(8-10)17-2;1-16-11-4-2-3-9(7-11)12-6-5-10(14)8-13(12)15/h4-13H,1-3H3;3-11H,1-2H3;2-10H,1H3;3-11H,1-2H3;2-7H,1H3;3-8H,2H3;3-8H,1-2H3;2-8H,1H3
• InChIKey: JXDGMXXINRPPQO-UHFFFAOYSA-N
• XLogP: 36.33
• TPSA: 164.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.31
LogP ≤ 5	36.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?

The IUPAC name of 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone (CID 159049950) is 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone.

What is the SMILES notation for 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?

The canonical SMILES for 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone is CN(C)c1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.COc1cccc(-c2ccc(F)c(C(=O)C(F)(F)F)c2F)c1.COc1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.COc1cccc(-c2ccc(F)c(C)c2F)c1.COc1cccc(-c2ccc(F)cc2F)c1.COc1ccnc(-c2ccc(F)c(C(=O)c3ccc(C)cc3)c2F)c1.Cc1ccc(C(=O)c2c(F)ccc(-c3cccc(N(C)C)c3)c2F)cc1.[C-]#[N+]c1c(F)ccc(-c2cccc(OC)c2)c1F.

What is the InChIKey of 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?

The InChIKey is JXDGMXXINRPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO.C21H15F4NO.C20H12F4O2.C20H15F2NO2.C15H9F5O2.C14H9F2NO.C14H12F2O.C13H10F2O/c1-14-7-9-15(10-8-14)22(26)20-19(23)12-11-18(21(20)24)16-5-4-6-17(13-16)25(2)3;1-26(2)14-5-3-4-12(10-14)15-8-9-17(23)19(20(15)25)21(27)16-7-6-13(22)11-18(16)24;1-26-13-4-2-3-11(9-13)14-7-8-16(22)18(19(14)24)20(25)15-6-5-12(21)10-17(15)23;1-12-3-5-13(6-4-12)20(24)18-16(21)8-7-15(19(18)22)17-11-14(25-2)9-10-23-17;1-22-9-4-2-3-8(7-9)10-5-6-11(16)12(13(10)17)14(21)15(18,19)20;1-17-14-12(15)7-6-11(13(14)16)9-4-3-5-10(8-9)18-2;1-9-13(15)7-6-12(14(9)16)10-4-3-5-11(8-10)17-2;1-16-11-4-2-3-9(7-11)12-6-5-10(14)8-13(12)15/h4-13H,1-3H3;3-11H,1-2H3;2-10H,1H3;3-11H,1-2H3;2-7H,1H3;3-8H,2H3;3-8H,1-2H3;2-8H,1H3.

What are the key properties of 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?

1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone has a molecular weight of 2440.31 g/mol, XLogP of 36.33, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-isocyano-4-(3-methoxyphenyl)benzene;2,4-difluoro-1-(3-methoxyphenyl)benzene;1,3-difluoro-4-(3-methoxyphenyl)-2-methylbenzene;[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-2,2,2-trifluoroethanone;[2,6-difluoro-3-(4-methoxy-2-pyridinyl)phenyl]-(4-methylphenyl)methanone;(2,4-difluorophenyl)-[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]methanone;[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 159049950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).