ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate

C9H9FN4O3 — CID 81298498

IUPACethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate
SMILESCCOC(=O)C(F)n1nnc(-c2ccco2)n1
InChIInChI=1S/C9H9FN4O3/c1-2-16-9(15)7(10)14-12-8(11-13-14)6-4-3-5-17-6/h3-5,7H,2H2,1H3
InChIKeyKRJUYDDYYIWYFO-UHFFFAOYSA-N
MW240.19 g/mol
LogP0.96
Rot. Bonds4

About ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate

ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate (PubChem CID 81298498) has the molecular formula C9H9FN4O3 and a molecular weight of 240.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate
PubChem CID81298498
Molecular FormulaC9H9FN4O3
Molecular Weight240.19 g/mol
Exact Mass240.07
IUPAC Nameethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate
SMILESCCOC(=O)C(F)n1nnc(-c2ccco2)n1
InChIInChI=1S/C9H9FN4O3/c1-2-16-9(15)7(10)14-12-8(11-13-14)6-4-3-5-17-6/h3-5,7H,2H2,1H3
InChIKeyKRJUYDDYYIWYFO-UHFFFAOYSA-N
XLogP0.96
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.96
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-[5-(furan-2-yl)tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate (CID 81298498) is ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate is CCOC(=O)C(F)n1nnc(-c2ccco2)n1.
What is the InChIKey of ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
The InChIKey is KRJUYDDYYIWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O3/c1-2-16-9(15)7(10)14-12-8(11-13-14)6-4-3-5-17-6/h3-5,7H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate?
ethyl 2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetate has a molecular weight of 240.19 g/mol, XLogP of 0.96, 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-[5-(furan-2-yl)tetrazol-2-yl]acetate is sourced from PubChem (CID 81298498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).