2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene

C24H19F7O2 — CID 58708802

IUPAC2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(-c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(C)c2)c(C)c1
InChIInChI=1S/C24H19F7O2/c1-12-7-14(3)21(15(4)8-12)16-5-6-18(13(2)9-16)23(27,28)32-17-10-19(25)22(20(26)11-17)33-24(29,30)31/h5-11H,1-4H3
InChIKeyHYYQFOCYMUWKGF-UHFFFAOYSA-N
MW472.40 g/mol
LogP7.89
Rot. Bonds5

About 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene

2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene (PubChem CID 58708802) has the molecular formula C24H19F7O2 and a molecular weight of 472.40 g/mol. Its IUPAC name is 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene
PubChem CID58708802
Molecular FormulaC24H19F7O2
Molecular Weight472.40 g/mol
Exact Mass472.13
IUPAC Name2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(-c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(C)c2)c(C)c1
InChIInChI=1S/C24H19F7O2/c1-12-7-14(3)21(15(4)8-12)16-5-6-18(13(2)9-16)23(27,28)32-17-10-19(25)22(20(26)11-17)33-24(29,30)31/h5-11H,1-4H3
InChIKeyHYYQFOCYMUWKGF-UHFFFAOYSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.40
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-(trifluoromethoxy)phenyl] 4-(2-fluoro-4,6-dimethylphenyl)-2-methylbenzoate
CID 58708808
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
CID 58738459
1-[difluoro-(4-methylphenoxy)methyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 129159429
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738400
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-methylbenzene
CID 118604500
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738373
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 118603334
[3,5-difluoro-4-(trifluoromethoxy)phenyl] 2-chloro-6-fluoro-4-(4-methylphenyl)benzoate
CID 162555124
1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;4-[difluoro-(4-methylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 143266126
2-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]-1,3,5-trimethoxybenzene
CID 89145117
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
2-[[4-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-methylbenzene
CID 89285776

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene (CID 58708802) is 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(-c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(C)c2)c(C)c1.
What is the InChIKey of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene?
The InChIKey is HYYQFOCYMUWKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F7O2/c1-12-7-14(3)21(15(4)8-12)16-5-6-18(13(2)9-16)23(27,28)32-17-10-19(25)22(20(26)11-17)33-24(29,30)31/h5-11H,1-4H3.
What are the key properties of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene?
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene has a molecular weight of 472.40 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-methylphenyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 58708802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).