(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone

C16H13F3O — CID 43337889

IUPAC(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C16H13F3O/c1-10-3-8-14(11(2)9-10)15(20)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3
InChIKeyJPBUOUNMMLLKLP-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.55
Rot. Bonds2

About (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone

(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 43337889) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID43337889
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C16H13F3O/c1-10-3-8-14(11(2)9-10)15(20)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3
InChIKeyJPBUOUNMMLLKLP-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-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 43337889) is (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is JPBUOUNMMLLKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-10-3-8-14(11(2)9-10)15(20)12-4-6-13(7-5-12)16(17,18)19/h3-9H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
(2,4-dimethylphenyl)-[4-(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 (2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43337889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).