1-[3-(trifluoromethyl)phenoxy]propan-2-one

C10H9F3O2 — CID 14574936

IUPAC1-[3-(trifluoromethyl)phenoxy]propan-2-one
SMILESCC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O2/c1-7(14)6-15-9-4-2-3-8(5-9)10(11,12)13/h2-5H,6H2,1H3
InChIKeyLFGYKNVJPGEVMJ-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.67
Rot. Bonds3

About 1-[3-(trifluoromethyl)phenoxy]propan-2-one

1-[3-(trifluoromethyl)phenoxy]propan-2-one (PubChem CID 14574936) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenoxy]propan-2-one
PubChem CID14574936
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[3-(trifluoromethyl)phenoxy]propan-2-one
SMILESCC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O2/c1-7(14)6-15-9-4-2-3-8(5-9)10(11,12)13/h2-5H,6H2,1H3
InChIKeyLFGYKNVJPGEVMJ-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
1-bromo-3-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 87404421
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624529
1-(1-methylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624588
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
N,N-dimethyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 9480621
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenoxy]propan-2-one?
The IUPAC name of 1-[3-(trifluoromethyl)phenoxy]propan-2-one (CID 14574936) is 1-[3-(trifluoromethyl)phenoxy]propan-2-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenoxy]propan-2-one?
The canonical SMILES for 1-[3-(trifluoromethyl)phenoxy]propan-2-one is CC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenoxy]propan-2-one?
The InChIKey is LFGYKNVJPGEVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-7(14)6-15-9-4-2-3-8(5-9)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenoxy]propan-2-one?
1-[3-(trifluoromethyl)phenoxy]propan-2-one has a molecular weight of 218.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenoxy]propan-2-one is sourced from PubChem (CID 14574936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).