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

C24H11F8NO4 — CID 20700432

IUPAC2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol
SMILESNc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(O)cc4)c(F)c3F)c(F)c2F)cc1O
InChIInChI=1S/C24H11F8NO4/c25-15-13(16(26)20(30)23(19(15)29)36-9-3-1-8(34)2-4-9)14-17(27)21(31)24(22(32)18(14)28)37-10-5-6-11(33)12(35)7-10/h1-7,34-35H,33H2
InChIKeyLINCSVMOLWRXSH-UHFFFAOYSA-N
MW529.34 g/mol
LogP7.04
Rot. Bonds5

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

2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol (PubChem CID 20700432) has the molecular formula C24H11F8NO4 and a molecular weight of 529.34 g/mol. Its IUPAC name is 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol.

Molecular Properties

Compound Name2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol
PubChem CID20700432
Molecular FormulaC24H11F8NO4
Molecular Weight529.34 g/mol
Exact Mass529.06
IUPAC Name2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol
SMILESNc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(O)cc4)c(F)c3F)c(F)c2F)cc1O
InChIInChI=1S/C24H11F8NO4/c25-15-13(16(26)20(30)23(19(15)29)36-9-3-1-8(34)2-4-9)14-17(27)21(31)24(22(32)18(14)28)37-10-5-6-11(33)12(35)7-10/h1-7,34-35H,33H2
InChIKeyLINCSVMOLWRXSH-UHFFFAOYSA-N
XLogP7.04
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.34
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol?
The IUPAC name of 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol (CID 20700432) is 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol.
What is the SMILES notation for 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol?
The canonical SMILES for 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol is Nc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(O)cc4)c(F)c3F)c(F)c2F)cc1O.
What is the InChIKey of 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol?
The InChIKey is LINCSVMOLWRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11F8NO4/c25-15-13(16(26)20(30)23(19(15)29)36-9-3-1-8(34)2-4-9)14-17(27)21(31)24(22(32)18(14)28)37-10-5-6-11(33)12(35)7-10/h1-7,34-35H,33H2.
What are the key properties of 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol?
2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol has a molecular weight of 529.34 g/mol, XLogP of 7.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-hydroxyphenoxy)phenyl]phenoxy]phenol is sourced from PubChem (CID 20700432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).