1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene

C15H11F5O3 — CID 102431568

IUPAC1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
SMILESCOc1cc(OC)c(-c2c(F)c(F)c(F)c(F)c2F)c(OC)c1
InChIInChI=1S/C15H11F5O3/c1-21-6-4-7(22-2)9(8(5-6)23-3)10-11(16)13(18)15(20)14(19)12(10)17/h4-5H,1-3H3
InChIKeyZOFMGBKRKSPUAW-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.07
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene

1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene (PubChem CID 102431568) has the molecular formula C15H11F5O3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
PubChem CID102431568
Molecular FormulaC15H11F5O3
Molecular Weight334.24 g/mol
Exact Mass334.06
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
SMILESCOc1cc(OC)c(-c2c(F)c(F)c(F)c(F)c2F)c(OC)c1
InChIInChI=1S/C15H11F5O3/c1-21-6-4-7(22-2)9(8(5-6)23-3)10-11(16)13(18)15(20)14(19)12(10)17/h4-5H,1-3H3
InChIKeyZOFMGBKRKSPUAW-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.07
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

2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
2,3,6-trifluoro-4-(2,4,6-trimethoxyphenyl)pyridine
CID 170781616
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
2-fluoro-4,6-dimethoxybenzenethiol
CID 91874712
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene (CID 102431568) is 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene is COc1cc(OC)c(-c2c(F)c(F)c(F)c(F)c2F)c(OC)c1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene?
The InChIKey is ZOFMGBKRKSPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O3/c1-21-6-4-7(22-2)9(8(5-6)23-3)10-11(16)13(18)15(20)14(19)12(10)17/h4-5H,1-3H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene?
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene has a molecular weight of 334.24 g/mol, XLogP of 4.07, 4 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-trimethoxyphenyl)benzene is sourced from PubChem (CID 102431568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).