1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene

C15H13F3O — CID 57085724

IUPAC1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
SMILESCc1cccc(-c2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C15H13F3O/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(9-12)19-15(16,17)18/h3-9H,1-2H3
InChIKeyCWAKDFQSGRRJBS-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.87
Rot. Bonds2

About 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene

1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 57085724) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID57085724
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
SMILESCc1cccc(-c2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C15H13F3O/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(9-12)19-15(16,17)18/h3-9H,1-2H3
InChIKeyCWAKDFQSGRRJBS-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723
3-(2,3-dimethylphenyl)-5-(trifluoromethoxy)benzaldehyde
CID 175670387
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene (CID 57085724) is 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene is Cc1cccc(-c2cccc(OC(F)(F)F)c2)c1C.
What is the InChIKey of 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is CWAKDFQSGRRJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(9-12)19-15(16,17)18/h3-9H,1-2H3.
What are the key properties of 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene?
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 266.26 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 57085724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).