1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone

C13H13F3O3 — CID 104693489

IUPAC1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-2-4-12(10)19-8-11(17)9-5-6-18-7-9/h1-4,9H,5-8H2
InChIKeyNVWLRXMKZKVFEM-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.69
Rot. Bonds4

About 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone

1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone (PubChem CID 104693489) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
PubChem CID104693489
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-2-4-12(10)19-8-11(17)9-5-6-18-7-9/h1-4,9H,5-8H2
InChIKeyNVWLRXMKZKVFEM-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 107659488
1-(oxolan-3-yl)-2-quinolin-5-yloxyethanone
CID 103045216
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104751850
1-(oxolan-3-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 104693441
2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104752130
2-(3-iodophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693460
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
N-[(2S)-2-[2-(trifluoromethyl)phenoxy]butyl]oxane-4-carboxamide
CID 97016575
2-(2-chloro-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693422
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935
oxolan-3-yl-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 86786762

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone (CID 104693489) is 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone is O=C(COc1ccccc1C(F)(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is NVWLRXMKZKVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-2-4-12(10)19-8-11(17)9-5-6-18-7-9/h1-4,9H,5-8H2.
What are the key properties of 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 274.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 104693489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).