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

C11H11F3O3 — CID 107507935

IUPAC1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
SMILESCOCC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-16-6-8(15)7-17-10-5-3-2-4-9(10)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyCJQGOTJQSWOTOP-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.30
Rot. Bonds5

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

1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one (PubChem CID 107507935) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
PubChem CID107507935
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
SMILESCOCC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-16-6-8(15)7-17-10-5-3-2-4-9(10)11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyCJQGOTJQSWOTOP-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1-[2-(hydroxymethyl)phenoxy]-3-methoxypropan-2-one
CID 107508156
1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
CID 107508154
methyl 2-methyl-4-[2-(trifluoromethyl)phenoxy]but-2-enoate
CID 77076452
N-[2-(2-methoxyphenoxy)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46546443
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
1-[2-(2-methylphenyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 55890319
[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 87565289
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one?
The IUPAC name of 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one (CID 107507935) is 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one?
The canonical SMILES for 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one is COCC(=O)COc1ccccc1C(F)(F)F.
What is the InChIKey of 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one?
The InChIKey is CJQGOTJQSWOTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-16-6-8(15)7-17-10-5-3-2-4-9(10)11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one?
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one has a molecular weight of 248.20 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one is sourced from PubChem (CID 107507935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).