ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate

C11H11FN4O2S — CID 675545

IUPACethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C11H11FN4O2S/c1-2-18-10(17)7-19-11-13-14-15-16(11)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3
InChIKeyHDIRCNIZLHQODB-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.46
Rot. Bonds5

About ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate

ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 675545) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID675545
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Nameethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C11H11FN4O2S/c1-2-18-10(17)7-19-11-13-14-15-16(11)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3
InChIKeyHDIRCNIZLHQODB-UHFFFAOYSA-N
XLogP1.46
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate (CID 675545) is ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate is CCOC(=O)CSc1nnnn1-c1ccccc1F.
What is the InChIKey of ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is HDIRCNIZLHQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-2-18-10(17)7-19-11-13-14-15-16(11)9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate?
ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 282.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 675545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).