2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol

C18H2F12O4 — CID 15397011

IUPAC2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol
SMILESOc1c(F)c(F)c(F)c(Oc2c(F)c(F)c(F)c(Oc3c(F)c(O)c(F)c(F)c3F)c2F)c1F
InChIInChI=1S/C18H2F12O4/c19-1-4(22)13(31)10(28)15(6(1)24)33-17-8(26)3(21)9(27)18(12(17)30)34-16-7(25)2(20)5(23)14(32)11(16)29/h31-32H
InChIKeyCSMIMANQDFDIID-UHFFFAOYSA-N
MW510.19 g/mol
LogP6.35
Rot. Bonds4

About 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol

2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol (PubChem CID 15397011) has the molecular formula C18H2F12O4 and a molecular weight of 510.19 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol
PubChem CID15397011
Molecular FormulaC18H2F12O4
Molecular Weight510.19 g/mol
Exact Mass509.98
IUPAC Name2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol
SMILESOc1c(F)c(F)c(F)c(Oc2c(F)c(F)c(F)c(Oc3c(F)c(O)c(F)c(F)c3F)c2F)c1F
InChIInChI=1S/C18H2F12O4/c19-1-4(22)13(31)10(28)15(6(1)24)33-17-8(26)3(21)9(27)18(12(17)30)34-16-7(25)2(20)5(23)14(32)11(16)29/h31-32H
InChIKeyCSMIMANQDFDIID-UHFFFAOYSA-N
XLogP6.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.19
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,3'-[(2,3,5,6-Tetrafluoro-1,4-phenylene)bis(oxy)]diphenol
CID 3092905
1,3,5-Trifluoro-2,4,6-tris(pentafluorophenoxy)benzene
CID 636241
2,3,4,6-Tetrafluoro-5-(pentafluorophenoxy)phenol
CID 12558023
3-(3,4-Difluorophenoxy)-2,5-difluorophenol
CID 53773997
3-[3-[3-(Trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54082270
3-(2,2-Difluoroethoxy)-2,4,5,6-tetrafluorophenol
CID 89344987
2,3,4,6-Tetrafluoro-5-(2-fluorophenoxy)phenol
CID 129188658
5-(2,3,5,6-Tetrafluorophenoxy)benzene-1,3-diol
CID 171771382
3-(2,4-Difluorophenoxy)-2,5-difluorophenol
CID 173271189
3-(2,3,4,5,6-Pentafluorophenoxy)phenol
CID 60870285
1,3-Benzenediol, 5,5a(2)-[(5-hydroxy-1,3-phenylene)bis(oxy)]bis-
CID 177844465

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol?
The IUPAC name of 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol (CID 15397011) is 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol is Oc1c(F)c(F)c(F)c(Oc2c(F)c(F)c(F)c(Oc3c(F)c(O)c(F)c(F)c3F)c2F)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol?
The InChIKey is CSMIMANQDFDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H2F12O4/c19-1-4(22)13(31)10(28)15(6(1)24)33-17-8(26)3(21)9(27)18(12(17)30)34-16-7(25)2(20)5(23)14(32)11(16)29/h31-32H.
What are the key properties of 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol?
2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol has a molecular weight of 510.19 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluoro-5-hydroxyphenoxy)phenoxy]phenol is sourced from PubChem (CID 15397011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).