1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

C11H10F4O3 — CID 43799433

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCOc1ccc(F)cc1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H10F4O3/c1-17-10-3-2-7(12)4-8(10)9(16)5-18-6-11(13,14)15/h2-4H,5-6H2,1H3
InChIKeyDZBVCSSIKRQZDM-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.60
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799433) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799433
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCOc1ccc(F)cc1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H10F4O3/c1-17-10-3-2-7(12)4-8(10)9(16)5-18-6-11(13,14)15/h2-4H,5-6H2,1H3
InChIKeyDZBVCSSIKRQZDM-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 103206613
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214452
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
2-bromo-2,2-difluoro-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 131390571
2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 82809087
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799433) is 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is COc1ccc(F)cc1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is DZBVCSSIKRQZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c1-17-10-3-2-7(12)4-8(10)9(16)5-18-6-11(13,14)15/h2-4H,5-6H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 266.19 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).