1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one

C11H9Cl2F3O2 — CID 43799481

IUPAC1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2F3O2/c1-6(18-5-11(14,15)16)10(17)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3
InChIKeyZQJCRUVCBGKSTJ-UHFFFAOYSA-N
MW301.09 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one

1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 43799481) has the molecular formula C11H9Cl2F3O2 and a molecular weight of 301.09 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID43799481
Molecular FormulaC11H9Cl2F3O2
Molecular Weight301.09 g/mol
Exact Mass299.99
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2F3O2/c1-6(18-5-11(14,15)16)10(17)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3
InChIKeyZQJCRUVCBGKSTJ-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400
1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one
CID 43800592
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one
CID 134400354
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567423

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 43799481) is 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one is CC(OCC(F)(F)F)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is ZQJCRUVCBGKSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3O2/c1-6(18-5-11(14,15)16)10(17)8-3-2-7(12)4-9(8)13/h2-4,6H,5H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 301.09 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 43799481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).