1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone

C13H11FO3 — CID 62029821

IUPAC1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
SMILESO=C(COCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H11FO3/c14-11-4-1-3-10(7-11)13(15)9-16-8-12-5-2-6-17-12/h1-7H,8-9H2
InChIKeyHZXRNHJBDZPJMB-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.82
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone

1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone (PubChem CID 62029821) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
PubChem CID62029821
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
SMILESO=C(COCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H11FO3/c14-11-4-1-3-10(7-11)13(15)9-16-8-12-5-2-6-17-12/h1-7H,8-9H2
InChIKeyHZXRNHJBDZPJMB-UHFFFAOYSA-N
XLogP2.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone
CID 62034554
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
2-(3,3-dimethylbutoxy)-1-(3-fluorophenyl)ethanone
CID 66234529
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 47052840
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612232
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
1-(3-fluorophenyl)-2-isocyanoethanone
CID 58318646

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone (CID 62029821) is 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone is O=C(COCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone?
The InChIKey is HZXRNHJBDZPJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-11-4-1-3-10(7-11)13(15)9-16-8-12-5-2-6-17-12/h1-7H,8-9H2.
What are the key properties of 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone?
1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone has a molecular weight of 234.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone is sourced from PubChem (CID 62029821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).