(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone

C16H13F3O — CID 43337272

IUPAC(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O/c1-10-6-7-11(2)14(8-10)15(20)12-4-3-5-13(9-12)16(17,18)19/h3-9H,1-2H3
InChIKeyZFHXRMIKSOEUIG-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.55
Rot. Bonds2

About (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone

(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 43337272) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID43337272
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O/c1-10-6-7-11(2)14(8-10)15(20)12-4-3-5-13(9-12)16(17,18)19/h3-9H,1-2H3
InChIKeyZFHXRMIKSOEUIG-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2,5-dimethylphenyl)-(3-iodophenyl)methanone
CID 43159705
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(E)-3-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6030994
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
3-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 4184992

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone (CID 43337272) is (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone is Cc1ccc(C)c(C(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZFHXRMIKSOEUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-10-6-7-11(2)14(8-10)15(20)12-4-3-5-13(9-12)16(17,18)19/h3-9H,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 278.27 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43337272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).