2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one

C15H19F3O2 — CID 102752803

IUPAC2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCCCC(OCC)C(=O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H19F3O2/c1-4-6-13(20-5-2)14(19)12-8-7-11(9-10(12)3)15(16,17)18/h7-9,13H,4-6H2,1-3H3
InChIKeyJSRDSQCAMGJIDR-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.40
Rot. Bonds6

About 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one

2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one (PubChem CID 102752803) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
PubChem CID102752803
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCCCC(OCC)C(=O)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H19F3O2/c1-4-6-13(20-5-2)14(19)12-8-7-11(9-10(12)3)15(16,17)18/h7-9,13H,4-6H2,1-3H3
InChIKeyJSRDSQCAMGJIDR-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 103454075
2-ethoxy-1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 116707896
1-(2,4-dimethylphenyl)-2-methoxypentan-1-one
CID 116708065
2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102831102
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
ethyl 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 129319443
diethyl 2-[2-nitro-4-(trifluoromethyl)benzoyl]propanedioate
CID 54118611
ethyl 2-(dibromomethyl)-4-(trifluoromethyl)benzoate
CID 69434080
1-(2,3-dichlorophenyl)-2-ethoxypentan-1-one
CID 116707827
ethyl 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpentanoate
CID 83036335
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
The IUPAC name of 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one (CID 102752803) is 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one.
What is the SMILES notation for 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
The canonical SMILES for 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one is CCCC(OCC)C(=O)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
The InChIKey is JSRDSQCAMGJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-4-6-13(20-5-2)14(19)12-8-7-11(9-10(12)3)15(16,17)18/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one?
2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one has a molecular weight of 288.31 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one is sourced from PubChem (CID 102752803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).