1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C11H6F8O — CID 103309423

IUPAC1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCc1cc(C(=O)C(C(F)(F)F)C(F)(F)F)c(F)cc1F
InChIInChI=1S/C11H6F8O/c1-4-2-5(7(13)3-6(4)12)8(20)9(10(14,15)16)11(17,18)19/h2-3,9H,1H3
InChIKeyXIADNQJBWYTFFF-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.20
Rot. Bonds2

About 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103309423) has the molecular formula C11H6F8O and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103309423
Molecular FormulaC11H6F8O
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCc1cc(C(=O)C(C(F)(F)F)C(F)(F)F)c(F)cc1F
InChIInChI=1S/C11H6F8O/c1-4-2-5(7(13)3-6(4)12)8(20)9(10(14,15)16)11(17,18)19/h2-3,9H,1H3
InChIKeyXIADNQJBWYTFFF-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-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

3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309437
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
1-(2,4-difluoro-5-methylphenyl)-2-methylprop-2-en-1-one
CID 115781002
1-(2,5-difluoro-4-methylphenyl)-2-propylpentan-1-one
CID 82984112
N-(3-bromopentyl)-2,4-difluoro-5-methylbenzamide
CID 113497969
2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
CID 22953700
(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone
CID 130553061
2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
(2,4-difluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749848
4-fluoro-2,5-dimethylbenzamide
CID 119025196

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103309423) is 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is Cc1cc(C(=O)C(C(F)(F)F)C(F)(F)F)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is XIADNQJBWYTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F8O/c1-4-2-5(7(13)3-6(4)12)8(20)9(10(14,15)16)11(17,18)19/h2-3,9H,1H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 306.15 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103309423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).