1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone

C11H11F3O3 — CID 166624623

IUPAC1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
SMILESCOc1ccc(OCC(F)(F)F)c(C(C)=O)c1
InChIInChI=1S/C11H11F3O3/c1-7(15)9-5-8(16-2)3-4-10(9)17-6-11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyVAMKKUHAJWBOJY-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.84
Rot. Bonds4

About 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone

1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone (PubChem CID 166624623) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
PubChem CID166624623
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
SMILESCOc1ccc(OCC(F)(F)F)c(C(C)=O)c1
InChIInChI=1S/C11H11F3O3/c1-7(15)9-5-8(16-2)3-4-10(9)17-6-11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyVAMKKUHAJWBOJY-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43268000
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
methyl 5-acetyl-2-(2,2,2-trifluoroethoxy)benzoate
CID 155887496
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2-chloroethanone
CID 12050208
1-[5-(2-hydroxy-2-methylpropoxy)-2-methoxyphenyl]ethanone
CID 110017847
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
CID 121001825
5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride
CID 177477124
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446
2,2,2-trifluoroethyl 2-(2,2-difluoropropoxy)-5-(2,2,2-trifluoroethoxy)benzoate
CID 143388362
2-(2-acetyl-4-methoxyphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18077065

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone (CID 166624623) is 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone is COc1ccc(OCC(F)(F)F)c(C(C)=O)c1.
What is the InChIKey of 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone?
The InChIKey is VAMKKUHAJWBOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-7(15)9-5-8(16-2)3-4-10(9)17-6-11(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone?
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone is sourced from PubChem (CID 166624623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).