trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium

C23H18F8NO2+ — CID 132540065

IUPACtrimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium
SMILESCOc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3C[N+](C)(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C23H18F8NO2/c1-32(2,3)9-10-7-5-6-8-11(10)34-23-20(30)16(26)13(17(27)21(23)31)12-14(24)18(28)22(33-4)19(29)15(12)25/h5-8H,9H2,1-4H3/q+1
InChIKeyXJIUKRMKLJNSIO-UHFFFAOYSA-N
MW492.39 g/mol
LogP6.47
Rot. Bonds6

About trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium

trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium (PubChem CID 132540065) has the molecular formula C23H18F8NO2+ and a molecular weight of 492.39 g/mol. Its IUPAC name is trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium
PubChem CID132540065
Molecular FormulaC23H18F8NO2+
Molecular Weight492.39 g/mol
Exact Mass492.12
IUPAC Nametrimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium
SMILESCOc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3C[N+](C)(C)C)c(F)c2F)c(F)c1F
InChIInChI=1S/C23H18F8NO2/c1-32(2,3)9-10-7-5-6-8-11(10)34-23-20(30)16(26)13(17(27)21(23)31)12-14(24)18(28)22(33-4)19(29)15(12)25/h5-8H,9H2,1-4H3/q+1
InChIKeyXJIUKRMKLJNSIO-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.39
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium?
The IUPAC name of trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium (CID 132540065) is trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium.
What is the SMILES notation for trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium?
The canonical SMILES for trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium is COc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3C[N+](C)(C)C)c(F)c2F)c(F)c1F.
What is the InChIKey of trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium?
The InChIKey is XJIUKRMKLJNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F8NO2/c1-32(2,3)9-10-7-5-6-8-11(10)34-23-20(30)16(26)13(17(27)21(23)31)12-14(24)18(28)22(33-4)19(29)15(12)25/h5-8H,9H2,1-4H3/q+1.
What are the key properties of trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium?
trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium has a molecular weight of 492.39 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium is sourced from PubChem (CID 132540065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).