1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene

C15H10F6O — CID 169072366

IUPAC1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O/c1-9-5-11(7-12(6-9)14(16,17)18)10-3-2-4-13(8-10)22-15(19,20)21/h2-8H,1H3
InChIKeyADRZCEYXGCVHBM-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.58
Rot. Bonds2

About 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene

1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene (PubChem CID 169072366) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
PubChem CID169072366
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
SMILESCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O/c1-9-5-11(7-12(6-9)14(16,17)18)10-3-2-4-13(8-10)22-15(19,20)21/h2-8H,1H3
InChIKeyADRZCEYXGCVHBM-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
1-ethynyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 166611458
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
CID 166176237
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
5-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477264
3-amino-3-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 135366687
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene (CID 169072366) is 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene is Cc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene?
The InChIKey is ADRZCEYXGCVHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c1-9-5-11(7-12(6-9)14(16,17)18)10-3-2-4-13(8-10)22-15(19,20)21/h2-8H,1H3.
What are the key properties of 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene?
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene has a molecular weight of 320.23 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 169072366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).