[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone

C23H14F6O2 — CID 90132438

IUPAC[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H14F6O2/c1-13-10-16(20(30)14-2-6-18(7-3-14)22(24,25)26)12-17(11-13)21(31)15-4-8-19(9-5-15)23(27,28)29/h2-12H,1H3
InChIKeyXJEZILGXPQXGDX-UHFFFAOYSA-N
MW436.35 g/mol
LogP6.49
Rot. Bonds4

About [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone

[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 90132438) has the molecular formula C23H14F6O2 and a molecular weight of 436.35 g/mol. Its IUPAC name is [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID90132438
Molecular FormulaC23H14F6O2
Molecular Weight436.35 g/mol
Exact Mass436.09
IUPAC Name[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H14F6O2/c1-13-10-16(20(30)14-2-6-18(7-3-14)22(24,25)26)12-17(11-13)21(31)15-4-8-19(9-5-15)23(27,28)29/h2-12H,1H3
InChIKeyXJEZILGXPQXGDX-UHFFFAOYSA-N
XLogP6.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.35
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone (CID 90132438) is [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XJEZILGXPQXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6O2/c1-13-10-16(20(30)14-2-6-18(7-3-14)22(24,25)26)12-17(11-13)21(31)15-4-8-19(9-5-15)23(27,28)29/h2-12H,1H3.
What are the key properties of [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone?
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 436.35 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90132438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).