4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene

C16H12F6O — CID 54396173

IUPAC4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
SMILESCc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F6O/c1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22/h3-8H,1-2H3
InChIKeyRKZNVIOTYNTDGQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP6.13
Rot. Bonds2

About 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene

4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene (PubChem CID 54396173) has the molecular formula C16H12F6O and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
PubChem CID54396173
Molecular FormulaC16H12F6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
SMILESCc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C16H12F6O/c1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22/h3-8H,1-2H3
InChIKeyRKZNVIOTYNTDGQ-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene (CID 54396173) is 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene is Cc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
The InChIKey is RKZNVIOTYNTDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O/c1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22/h3-8H,1-2H3.
What are the key properties of 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene has a molecular weight of 334.26 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 54396173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).