1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene

C26H4F18O2 — CID 629724

IUPAC1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene
SMILESFc1c(F)c(F)c(OCc2c(F)c(F)c(-c3c(F)c(F)c(COc4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C26H4F18O2/c27-7-3(1-45-25-21(41)17(37)15(35)18(38)22(25)42)8(28)12(32)5(11(7)31)6-13(33)9(29)4(10(30)14(6)34)2-46-26-23(43)19(39)16(36)20(40)24(26)44/h1-2H2
InChIKeyFUPKIMMXHPJXLN-UHFFFAOYSA-N
MW690.28 g/mol
LogP9.02
Rot. Bonds7

About 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene

1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene (PubChem CID 629724) has the molecular formula C26H4F18O2 and a molecular weight of 690.28 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene
PubChem CID629724
Molecular FormulaC26H4F18O2
Molecular Weight690.28 g/mol
Exact Mass689.99
IUPAC Name1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene
SMILESFc1c(F)c(F)c(OCc2c(F)c(F)c(-c3c(F)c(F)c(COc4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C26H4F18O2/c27-7-3(1-45-25-21(41)17(37)15(35)18(38)22(25)42)8(28)12(32)5(11(7)31)6-13(33)9(29)4(10(30)14(6)34)2-46-26-23(43)19(39)16(36)20(40)24(26)44/h1-2H2
InChIKeyFUPKIMMXHPJXLN-UHFFFAOYSA-N
XLogP9.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.28
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene with MolForge

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Related Compounds

1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]methyl]benzene
CID 15210912
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
CID 12954709
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene
CID 141088240
(2,3,4,5,6-pentafluorophenoxy)methanol
CID 87333321
1,2,3,4,6,7-hexafluoro-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-8-(2,3,5,6-tetrafluoro-4-methoxyphenyl)naphthalene
CID 177164200
4-[(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)methyl]-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 118880239
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene
CID 170082049
1,2,3,4,5-pentafluoro-6-(methylperoxymethyl)benzene
CID 58861663

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene (CID 629724) is 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene is Fc1c(F)c(F)c(OCc2c(F)c(F)c(-c3c(F)c(F)c(COc4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene?
The InChIKey is FUPKIMMXHPJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H4F18O2/c27-7-3(1-45-25-21(41)17(37)15(35)18(38)22(25)42)8(28)12(32)5(11(7)31)6-13(33)9(29)4(10(30)14(6)34)2-46-26-23(43)19(39)16(36)20(40)24(26)44/h1-2H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene?
1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene has a molecular weight of 690.28 g/mol, XLogP of 9.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene is sourced from PubChem (CID 629724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).