2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene

C15H10F6O2 — CID 87191314

IUPAC2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
SMILESCc1ccc(-c2c(OC(F)(F)F)cccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H10F6O2/c1-9-5-7-10(8-6-9)13-11(22-14(16,17)18)3-2-4-12(13)23-15(19,20)21/h2-8H,1H3
InChIKeyXUPUKMLOLQDKBT-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.46
Rot. Bonds3

About 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene

2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene (PubChem CID 87191314) has the molecular formula C15H10F6O2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
PubChem CID87191314
Molecular FormulaC15H10F6O2
Molecular Weight336.23 g/mol
Exact Mass336.06
IUPAC Name2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
SMILESCc1ccc(-c2c(OC(F)(F)F)cccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H10F6O2/c1-9-5-7-10(8-6-9)13-11(22-14(16,17)18)3-2-4-12(13)23-15(19,20)21/h2-8H,1H3
InChIKeyXUPUKMLOLQDKBT-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993981
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-methyl-2-[2-methyl-6-(trifluoromethoxy)phenyl]sulfanyl-3-(trifluoromethoxy)benzene
CID 175290458
1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene
CID 67623279

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene?
The IUPAC name of 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene (CID 87191314) is 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene?
The canonical SMILES for 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene is Cc1ccc(-c2c(OC(F)(F)F)cccc2OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene?
The InChIKey is XUPUKMLOLQDKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O2/c1-9-5-7-10(8-6-9)13-11(22-14(16,17)18)3-2-4-12(13)23-15(19,20)21/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene?
2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene has a molecular weight of 336.23 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene is sourced from PubChem (CID 87191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).