ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate

C6H9FN4O2S — CID 79357798

IUPACethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCCOC(=O)C(F)Sc1nnnn1C
InChIInChI=1S/C6H9FN4O2S/c1-3-13-5(12)4(7)14-6-8-9-10-11(6)2/h4H,3H2,1-2H3
InChIKeyWGTDGAJOGQELRU-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.16
Rot. Bonds4

About ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate

ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate (PubChem CID 79357798) has the molecular formula C6H9FN4O2S and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate
PubChem CID79357798
Molecular FormulaC6H9FN4O2S
Molecular Weight220.23 g/mol
Exact Mass220.04
IUPAC Nameethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCCOC(=O)C(F)Sc1nnnn1C
InChIInChI=1S/C6H9FN4O2S/c1-3-13-5(12)4(7)14-6-8-9-10-11(6)2/h4H,3H2,1-2H3
InChIKeyWGTDGAJOGQELRU-UHFFFAOYSA-N
XLogP0.16
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate (CID 79357798) is ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate is CCOC(=O)C(F)Sc1nnnn1C.
What is the InChIKey of ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate?
The InChIKey is WGTDGAJOGQELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4O2S/c1-3-13-5(12)4(7)14-6-8-9-10-11(6)2/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate?
ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate has a molecular weight of 220.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1-methyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 79357798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).