1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one

C12H13F3O — CID 71048144

IUPAC1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CC)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-3-8-5-6-9(11(16)4-2)10(7-8)12(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyOTILXNJOGYRBDR-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.86
Rot. Bonds3

About 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one

1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 71048144) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID71048144
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(CC)cc1C(F)(F)F
InChIInChI=1S/C12H13F3O/c1-3-8-5-6-9(11(16)4-2)10(7-8)12(13,14)15/h5-7H,3-4H2,1-2H3
InChIKeyOTILXNJOGYRBDR-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 134624971
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922
1-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 118838008
1-[2-(trifluoromethyl)-4-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640781
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
methyl 2-acetamido-5-propanoyl-4-(trifluoromethyl)benzoate
CID 59164507
1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 150013238
1-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 134615984
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672
ethyl 4-(3-bromopropyl)-2-(trifluoromethyl)benzoate
CID 134644305
4-[4-ethyl-2-(trifluoromethyl)phenyl]benzamide
CID 89450250
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one (CID 71048144) is 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one is CCC(=O)c1ccc(CC)cc1C(F)(F)F.
What is the InChIKey of 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is OTILXNJOGYRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-8-5-6-9(11(16)4-2)10(7-8)12(13,14)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one?
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 230.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 71048144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).