5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene

C99H60F42O9 — CID 159611619

About 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene

5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene (PubChem CID 159611619) has the molecular formula C99H60F42O9 and a molecular weight of 2191.48 g/mol. Its IUPAC name is 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene.

Molecular Properties

• Compound Name: 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
• PubChem CID: 159611619
• Molecular Formula: C99H60F42O9
• Molecular Weight: 2191.48 g/mol
• Exact Mass: 2190.36
• IUPAC Name: 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
• SMILES: C/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1.C/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2ccc(F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2ccc(OC(F)(F)F)c(F)c2)c(F)c1
• InChI: InChI=1S/C17H9F9O2.C17H10F8O2.C17H11F7O2.C16H9F7O.C16H10F6O.C16H11F5O/c1-2-3-8-4-10(18)14(11(19)5-8)16(22,23)27-9-6-12(20)15(13(21)7-9)28-17(24,25)26;1-2-3-9-4-5-11(12(18)6-9)16(21,22)26-10-7-13(19)15(14(20)8-10)27-17(23,24)25;1-2-3-10-4-6-12(13(18)8-10)16(20,21)25-11-5-7-15(14(19)9-11)26-17(22,23)24;1-2-3-8-4-10(17)14(11(18)5-8)16(22,23)24-9-6-12(19)15(21)13(20)7-9;1-2-3-9-4-5-11(12(17)6-9)16(21,22)23-10-7-13(18)15(20)14(19)8-10;1-2-3-10-4-6-12(14(18)8-10)16(20,21)22-11-5-7-13(17)15(19)9-11/h2-7H,1H3;2-8H,1H3;2-9H,1H3;2-7H,1H3;2-8H,1H3;2-9H,1H3/b6*3-2+
• InChIKey: MMTLZJMRXSOSLP-HOOHPFFKSA-N
• XLogP: 34.70
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2191.48
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?

The IUPAC name of 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene (CID 159611619) is 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene.

What is the SMILES notation for 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?

The canonical SMILES for 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1.C/C=C/c1cc(F)c(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2cc(F)c(F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2cc(F)c(OC(F)(F)F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2ccc(F)c(F)c2)c(F)c1.C/C=C/c1ccc(C(F)(F)Oc2ccc(OC(F)(F)F)c(F)c2)c(F)c1.

What is the InChIKey of 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?

The InChIKey is MMTLZJMRXSOSLP-HOOHPFFKSA-N. The full InChI is InChI=1S/C17H9F9O2.C17H10F8O2.C17H11F7O2.C16H9F7O.C16H10F6O.C16H11F5O/c1-2-3-8-4-10(18)14(11(19)5-8)16(22,23)27-9-6-12(20)15(13(21)7-9)28-17(24,25)26;1-2-3-9-4-5-11(12(18)6-9)16(21,22)26-10-7-13(19)15(14(20)8-10)27-17(23,24)25;1-2-3-10-4-6-12(13(18)8-10)16(20,21)25-11-5-7-15(14(19)9-11)26-17(22,23)24;1-2-3-8-4-10(17)14(11(18)5-8)16(22,23)24-9-6-12(19)15(21)13(20)7-9;1-2-3-9-4-5-11(12(17)6-9)16(21,22)23-10-7-13(18)15(20)14(19)8-10;1-2-3-10-4-6-12(14(18)8-10)16(20,21)22-11-5-7-13(17)15(19)9-11/h2-7H,1H3;2-8H,1H3;2-9H,1H3;2-7H,1H3;2-8H,1H3;2-9H,1H3/b6*3-2+.

What are the key properties of 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene?

5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene has a molecular weight of 2191.48 g/mol, XLogP of 34.70, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene;5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]methoxy]-1,2,3-trifluorobenzene;1-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]benzene;2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 159611619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).