[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate

C12H11FN4O4 — CID 8538196

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2cnnn2)cc1F
InChIInChI=1S/C12H11FN4O4/c1-20-11-3-2-8(4-9(11)13)10(18)6-21-12(19)5-17-7-14-15-16-17/h2-4,7H,5-6H2,1H3
InChIKeyVOUVHCDKJQHHIN-UHFFFAOYSA-N
MW294.24 g/mol
LogP0.25
Rot. Bonds6

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate (PubChem CID 8538196) has the molecular formula C12H11FN4O4 and a molecular weight of 294.24 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate
PubChem CID8538196
Molecular FormulaC12H11FN4O4
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2cnnn2)cc1F
InChIInChI=1S/C12H11FN4O4/c1-20-11-3-2-8(4-9(11)13)10(18)6-21-12(19)5-17-7-14-15-16-17/h2-4,7H,5-6H2,1H3
InChIKeyVOUVHCDKJQHHIN-UHFFFAOYSA-N
XLogP0.25
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7546006
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8814476
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55375066
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 7547367
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
[2-(4-fluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate
CID 5301602
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500735
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588920
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7537155

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate (CID 8538196) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate is COc1ccc(C(=O)COC(=O)Cn2cnnn2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
The InChIKey is VOUVHCDKJQHHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O4/c1-20-11-3-2-8(4-9(11)13)10(18)6-21-12(19)5-17-7-14-15-16-17/h2-4,7H,5-6H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate has a molecular weight of 294.24 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 8538196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).