1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite

C104H70F28O7 — CID 161087301

About 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite

1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite (PubChem CID 161087301) has the molecular formula C104H70F28O7 and a molecular weight of 1963.64 g/mol. Its IUPAC name is 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite.

Molecular Properties

• Compound Name: 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite
• PubChem CID: 161087301
• Molecular Formula: C104H70F28O7
• Molecular Weight: 1963.64 g/mol
• Exact Mass: 1962.47
• IUPAC Name: 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite
• SMILES: Cc1c(F)cc(-c2ccc(OF)cc2)cc1F.Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(Cc4ccc(-c5cc(F)c(C)c(F)c5)cc4)cc3)cc2F)cc1F.Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(OCF)cc3)cc2F)cc1F.Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(OCOc4ccc(-c5cc(F)c(C)c(F)c5)cc4)cc3)cc2F)cc1F.FCCF
• InChI: InChI=1S/C34H22F8O3.C34H22F8O.C21H13F7O2.C13H9F3O.C2H4F2/c1-18-27(35)11-22(12-28(18)36)20-3-7-24(8-4-20)43-17-44-25-9-5-21(6-10-25)23-13-31(39)33(32(40)14-23)34(41,42)45-26-15-29(37)19(2)30(38)16-26;1-18-27(35)12-24(13-28(18)36)22-7-3-20(4-8-22)11-21-5-9-23(10-6-21)25-14-31(39)33(32(40)15-25)34(41,42)43-26-16-29(37)19(2)30(38)17-26;1-11-16(23)8-15(9-17(11)24)30-21(27,28)20-18(25)6-13(7-19(20)26)12-2-4-14(5-3-12)29-10-22;1-8-12(14)6-10(7-13(8)15)9-2-4-11(17-16)5-3-9;3-1-2-4/h3-16H,17H2,1-2H3;3-10,12-17H,11H2,1-2H3;2-9H,10H2,1H3;2-7H,1H3;1-2H2
• InChIKey: UGRSSKLCNXTSEJ-UHFFFAOYSA-N
• XLogP: 31.99
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1963.64
LogP ≤ 5	31.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite?

The IUPAC name of 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite (CID 161087301) is 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite.

What is the SMILES notation for 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite?

The canonical SMILES for 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite is Cc1c(F)cc(-c2ccc(OF)cc2)cc1F.Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(Cc4ccc(-c5cc(F)c(C)c(F)c5)cc4)cc3)cc2F)cc1F.Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(OCF)cc3)cc2F)cc1F.Cc1c(F)cc(OC(F)(F)c2c(F)cc(-c3ccc(OCOc4ccc(-c5cc(F)c(C)c(F)c5)cc4)cc3)cc2F)cc1F.FCCF.

What is the InChIKey of 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite?

The InChIKey is UGRSSKLCNXTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F8O3.C34H22F8O.C21H13F7O2.C13H9F3O.C2H4F2/c1-18-27(35)11-22(12-28(18)36)20-3-7-24(8-4-20)43-17-44-25-9-5-21(6-10-25)23-13-31(39)33(32(40)14-23)34(41,42)45-26-15-29(37)19(2)30(38)16-26;1-18-27(35)12-24(13-28(18)36)22-7-3-20(4-8-22)11-21-5-9-23(10-6-21)25-14-31(39)33(32(40)15-25)34(41,42)43-26-16-29(37)19(2)30(38)17-26;1-11-16(23)8-15(9-17(11)24)30-21(27,28)20-18(25)6-13(7-19(20)26)12-2-4-14(5-3-12)29-10-22;1-8-12(14)6-10(7-13(8)15)9-2-4-11(17-16)5-3-9;3-1-2-4/h3-16H,17H2,1-2H3;3-10,12-17H,11H2,1-2H3;2-9H,10H2,1H3;2-7H,1H3;1-2H2.

What are the key properties of 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite?

1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite has a molecular weight of 1963.64 g/mol, XLogP of 31.99, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoroethane;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[4-(fluoromethoxy)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenoxy]methoxy]phenyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-[[4-(3,5-difluoro-4-methylphenyl)phenyl]methyl]phenyl]-1,3-difluorobenzene;[4-(3,5-difluoro-4-methylphenyl)phenyl] hypofluorite is sourced from PubChem (CID 161087301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).