[4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone

C23H27F3O — CID 14142162

IUPAC[4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(C)C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(C(C)C)c1
InChIInChI=1S/C23H27F3O/c1-13(2)17-11-19(14(3)4)21(20(12-17)15(5)6)22(27)16-7-9-18(10-8-16)23(24,25)26/h7-15H,1-6H3
InChIKeyIZEKIDZITIIWLS-UHFFFAOYSA-N
MW376.46 g/mol
LogP7.31
Rot. Bonds5

About [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone

[4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone (PubChem CID 14142162) has the molecular formula C23H27F3O and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
PubChem CID14142162
Molecular FormulaC23H27F3O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(C)C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(C(C)C)c1
InChIInChI=1S/C23H27F3O/c1-13(2)17-11-19(14(3)4)21(20(12-17)15(5)6)22(27)16-7-9-18(10-8-16)23(24,25)26/h7-15H,1-6H3
InChIKeyIZEKIDZITIIWLS-UHFFFAOYSA-N
XLogP7.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 57.31
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-tri(propan-2-yl)phenyl]methanone?
The IUPAC name of [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone (CID 14142162) is [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone is CC(C)c1cc(C(C)C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(C(C)C)c1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The InChIKey is IZEKIDZITIIWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O/c1-13(2)17-11-19(14(3)4)21(20(12-17)15(5)6)22(27)16-7-9-18(10-8-16)23(24,25)26/h7-15H,1-6H3.
What are the key properties of [4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
[4-(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yl)phenyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 7.31, 5 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-tri(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 14142162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).