1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone

C12H13FO3 — CID 63559072

IUPAC1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
SMILESO=C(COC1CCOC1)c1cccc(F)c1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-9(6-10)12(14)8-16-11-4-5-15-7-11/h1-3,6,11H,4-5,7-8H2
InChIKeyDDBMEYQYQJEHID-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.81
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone

1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone (PubChem CID 63559072) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
PubChem CID63559072
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
SMILESO=C(COC1CCOC1)c1cccc(F)c1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-9(6-10)12(14)8-16-11-4-5-15-7-11/h1-3,6,11H,4-5,7-8H2
InChIKeyDDBMEYQYQJEHID-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63557451
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
2-(oxetan-3-yloxy)-1-phenylethanone
CID 102606995
1-(3-fluorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997006
1-(2,5-dichlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 55225720
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
3-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 2758695
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
CID 61288416
3-[2-(oxolan-3-yloxy)ethoxy]benzoic acid
CID 63557403
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
CID 116557703
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
CID 63558654

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone (CID 63559072) is 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone is O=C(COC1CCOC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone?
The InChIKey is DDBMEYQYQJEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-3-1-2-9(6-10)12(14)8-16-11-4-5-15-7-11/h1-3,6,11H,4-5,7-8H2.
What are the key properties of 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone?
1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone has a molecular weight of 224.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone is sourced from PubChem (CID 63559072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).