[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone

C43H28F8O5 — CID 23525999

IUPAC[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)cc4)c(F)c3F)cc2)cc1
InChIInChI=1S/C43H28F8O5/c1-21-32(44)34(46)30(35(47)33(21)45)40(52)22-5-13-27(14-6-22)55-28-15-7-23(8-16-28)41(53)31-36(48)38(50)42(39(51)37(31)49)56-29-19-11-25(12-20-29)43(2,3)24-9-17-26(54-4)18-10-24/h5-20H,1-4H3
InChIKeyJUUCFTFCARIPMP-UHFFFAOYSA-N
MW776.68 g/mol
LogP11.49
Rot. Bonds11

About [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone

[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone (PubChem CID 23525999) has the molecular formula C43H28F8O5 and a molecular weight of 776.68 g/mol. Its IUPAC name is [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
PubChem CID23525999
Molecular FormulaC43H28F8O5
Molecular Weight776.68 g/mol
Exact Mass776.18
IUPAC Name[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
SMILESCOc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)cc4)c(F)c3F)cc2)cc1
InChIInChI=1S/C43H28F8O5/c1-21-32(44)34(46)30(35(47)33(21)45)40(52)22-5-13-27(14-6-22)55-28-15-7-23(8-16-28)41(53)31-36(48)38(50)42(39(51)37(31)49)56-29-19-11-25(12-20-29)43(2,3)24-9-17-26(54-4)18-10-24/h5-20H,1-4H3
InChIKeyJUUCFTFCARIPMP-UHFFFAOYSA-N
XLogP11.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.68
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The IUPAC name of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone (CID 23525999) is [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone.
What is the SMILES notation for [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The canonical SMILES for [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone is COc1ccc(C(C)(C)c2ccc(Oc3c(F)c(F)c(C(=O)c4ccc(Oc5ccc(C(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)cc4)c(F)c3F)cc2)cc1.
What is the InChIKey of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
The InChIKey is JUUCFTFCARIPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F8O5/c1-21-32(44)34(46)30(35(47)33(21)45)40(52)22-5-13-27(14-6-22)55-28-15-7-23(8-16-28)41(53)31-36(48)38(50)42(39(51)37(31)49)56-29-19-11-25(12-20-29)43(2,3)24-9-17-26(54-4)18-10-24/h5-20H,1-4H3.
What are the key properties of [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone?
[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone has a molecular weight of 776.68 g/mol, XLogP of 11.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone is sourced from PubChem (CID 23525999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).