ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate

C11H11FN4O2 — CID 591007

IUPACethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C11H11FN4O2/c1-2-18-10(17)7-16-14-11(13-15-16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyZPBQUZWROLFNJV-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.04
Rot. Bonds4

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

ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate (PubChem CID 591007) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate
PubChem CID591007
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Nameethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C11H11FN4O2/c1-2-18-10(17)7-16-14-11(13-15-16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyZPBQUZWROLFNJV-UHFFFAOYSA-N
XLogP1.04
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate (CID 591007) is ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2ccccc2F)n1.
What is the InChIKey of ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate?
The InChIKey is ZPBQUZWROLFNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-2-18-10(17)7-16-14-11(13-15-16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate?
ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate has a molecular weight of 250.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-fluorophenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 591007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).