[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone

C17H15F3O — CID 43159894

IUPAC[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H15F3O/c1-10-8-11(2)15(12(3)9-10)16(21)13-4-6-14(7-5-13)17(18,19)20/h4-9H,1-3H3
InChIKeyNNCNRCYVUDOGGT-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.86
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone

[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 43159894) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID43159894
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H15F3O/c1-10-8-11(2)15(12(3)9-10)16(21)13-4-6-14(7-5-13)17(18,19)20/h4-9H,1-3H3
InChIKeyNNCNRCYVUDOGGT-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone (CID 43159894) is [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NNCNRCYVUDOGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10-8-11(2)15(12(3)9-10)16(21)13-4-6-14(7-5-13)17(18,19)20/h4-9H,1-3H3.
What are the key properties of [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 292.30 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43159894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).