[5-(3-fluorophenyl)furan-2-yl] acetate

C12H9FO3 — CID 174515383

IUPAC[5-(3-fluorophenyl)furan-2-yl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C12H9FO3/c1-8(14)15-12-6-5-11(16-12)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyGMBOJEAPJDZKDX-UHFFFAOYSA-N
MW220.20 g/mol
LogP3.01
Rot. Bonds2

About [5-(3-fluorophenyl)furan-2-yl] acetate

[5-(3-fluorophenyl)furan-2-yl] acetate (PubChem CID 174515383) has the molecular formula C12H9FO3 and a molecular weight of 220.20 g/mol. Its IUPAC name is [5-(3-fluorophenyl)furan-2-yl] acetate.

Molecular Properties

Compound Name[5-(3-fluorophenyl)furan-2-yl] acetate
PubChem CID174515383
Molecular FormulaC12H9FO3
Molecular Weight220.20 g/mol
Exact Mass220.05
IUPAC Name[5-(3-fluorophenyl)furan-2-yl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C12H9FO3/c1-8(14)15-12-6-5-11(16-12)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyGMBOJEAPJDZKDX-UHFFFAOYSA-N
XLogP3.01
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chlorophenyl)furan-2-yl] acetate
CID 174501169
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
5-(3-fluorophenyl)-N'-(4-methoxybenzoyl)furan-2-carbohydrazide
CID 24900154
2-[5-(3-fluorophenyl)furan-2-yl]cyclopropane-1-carboxylic acid
CID 54775886
5-(3-fluorophenyl)furan-2-carbonitrile
CID 19840641
6-(3-fluorophenyl)-1,3-oxazine-2,4-dione
CID 13370936
(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
CID 126025634
N'-(2-chlorobenzoyl)-5-(3-fluorophenyl)furan-2-carbohydrazide
CID 24900153
[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenyl] acetate
CID 159122206
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)furan-2-yl] acetate?
The IUPAC name of [5-(3-fluorophenyl)furan-2-yl] acetate (CID 174515383) is [5-(3-fluorophenyl)furan-2-yl] acetate.
What is the SMILES notation for [5-(3-fluorophenyl)furan-2-yl] acetate?
The canonical SMILES for [5-(3-fluorophenyl)furan-2-yl] acetate is CC(=O)Oc1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of [5-(3-fluorophenyl)furan-2-yl] acetate?
The InChIKey is GMBOJEAPJDZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO3/c1-8(14)15-12-6-5-11(16-12)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of [5-(3-fluorophenyl)furan-2-yl] acetate?
[5-(3-fluorophenyl)furan-2-yl] acetate has a molecular weight of 220.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)furan-2-yl] acetate is sourced from PubChem (CID 174515383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).