4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one

C13H15F3O — CID 64565089

IUPAC4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc(C(=O)CCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-9(2)10-3-5-11(6-4-10)12(17)7-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3
InChIKeyLKWATEGJUHYQPY-UHFFFAOYSA-N
MW244.26 g/mol
LogP4.34
Rot. Bonds4

About 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one

4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one (PubChem CID 64565089) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
PubChem CID64565089
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc(C(=O)CCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3O/c1-9(2)10-3-5-11(6-4-10)12(17)7-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3
InChIKeyLKWATEGJUHYQPY-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
CID 116563485
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-one
CID 115792152
2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one (CID 64565089) is 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one is CC(C)c1ccc(C(=O)CCC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one?
The InChIKey is LKWATEGJUHYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O/c1-9(2)10-3-5-11(6-4-10)12(17)7-8-13(14,15)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one?
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one has a molecular weight of 244.26 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 64565089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).