3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one

C11H7F7O — CID 107129942

IUPAC3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
SMILESCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1F
InChIInChI=1S/C11H7F7O/c1-5-2-3-6(4-7(5)12)8(19)9(10(13,14)15)11(16,17)18/h2-4,9H,1H3
InChIKeyGGMBZDOFJMXHRT-UHFFFAOYSA-N
MW288.16 g/mol
LogP4.06
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one (PubChem CID 107129942) has the molecular formula C11H7F7O and a molecular weight of 288.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
PubChem CID107129942
Molecular FormulaC11H7F7O
Molecular Weight288.16 g/mol
Exact Mass288.04
IUPAC Name3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
SMILESCc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1F
InChIInChI=1S/C11H7F7O/c1-5-2-3-6(4-7(5)12)8(19)9(10(13,14)15)11(16,17)18/h2-4,9H,1H3
InChIKeyGGMBZDOFJMXHRT-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-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

2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 103309388
1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309423
1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
CID 107129986
methyl 4-(3-fluoro-4-methylphenyl)-3-methyl-4-oxobutanoate
CID 63644493
ethyl 2-fluoro-3-(3-fluoro-4-methylphenyl)-3-oxopropanoate
CID 88642220
3-fluoro-4-methyl-N-oxobenzamide
CID 126760596
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
5-amino-1-(3-fluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107129842
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one (CID 107129942) is 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one is Cc1ccc(C(=O)C(C(F)(F)F)C(F)(F)F)cc1F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one?
The InChIKey is GGMBZDOFJMXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7O/c1-5-2-3-6(4-7(5)12)8(19)9(10(13,14)15)11(16,17)18/h2-4,9H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one has a molecular weight of 288.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 107129942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).