1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene

C24F18O3 — CID 636241

IUPAC1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene
SMILESFc1c(F)c(F)c(Oc2c(F)c(Oc3c(F)c(F)c(F)c(F)c3F)c(F)c(Oc3c(F)c(F)c(F)c(F)c3F)c2F)c(F)c1F
InChIInChI=1S/C24F18O3/c25-1-4(28)10(34)19(11(35)5(1)29)43-22-16(40)23(44-20-12(36)6(30)2(26)7(31)13(20)37)18(42)24(17(22)41)45-21-14(38)8(32)3(27)9(33)15(21)39
InChIKeyWSOLSEJNTOXAJJ-UHFFFAOYSA-N
MW678.22 g/mol
LogP9.57
Rot. Bonds6

About 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene

1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene (PubChem CID 636241) has the molecular formula C24F18O3 and a molecular weight of 678.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene
PubChem CID636241
Molecular FormulaC24F18O3
Molecular Weight678.22 g/mol
Exact Mass677.96
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene
SMILESFc1c(F)c(F)c(Oc2c(F)c(Oc3c(F)c(F)c(F)c(F)c3F)c(F)c(Oc3c(F)c(F)c(F)c(F)c3F)c2F)c(F)c1F
InChIInChI=1S/C24F18O3/c25-1-4(28)10(34)19(11(35)5(1)29)43-22-16(40)23(44-20-12(36)6(30)2(26)7(31)13(20)37)18(42)24(17(22)41)45-21-14(38)8(32)3(27)9(33)15(21)39
InChIKeyWSOLSEJNTOXAJJ-UHFFFAOYSA-N
XLogP9.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.22
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl)stannane
CID 297580
Tris[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)phenyl]phosphane
CID 297568
1,3-Bis(3-hydroxytetrafluorophenoxy)tetrafluorobenzene
CID 15397011
1,2,3,5-Tetrafluoro-4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzene
CID 297573
2,3,4,6-Tetrafluoro-5-(pentafluorophenoxy)phenol
CID 12558023
1,3-Bis(3-fluorophenoxy)benzene
CID 12135693
1-Fluoro-3,5-bis(3-fluorophenoxy)benzene
CID 22022525
1-Fluoro-3-[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338384
1,3-Bis(2-fluorophenoxy)benzene
CID 22338523
1-Fluoro-4-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338525
1-Fluoro-2-[3-[3-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338545
1,3-Bis(4-fluorophenoxy)benzene
CID 22338557

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene (CID 636241) is 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene is Fc1c(F)c(F)c(Oc2c(F)c(Oc3c(F)c(F)c(F)c(F)c3F)c(F)c(Oc3c(F)c(F)c(F)c(F)c3F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene?
The InChIKey is WSOLSEJNTOXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24F18O3/c25-1-4(28)10(34)19(11(35)5(1)29)43-22-16(40)23(44-20-12(36)6(30)2(26)7(31)13(20)37)18(42)24(17(22)41)45-21-14(38)8(32)3(27)9(33)15(21)39.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene?
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene has a molecular weight of 678.22 g/mol, XLogP of 9.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene is sourced from PubChem (CID 636241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).