methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate

C10H9FN4O2 — CID 15007281

IUPACmethyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1-c1cccc(F)c1
InChIInChI=1S/C10H9FN4O2/c1-17-9(16)6-15-10(12-13-14-15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChIKeyMMYNYIUVVADLHM-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.65
Rot. Bonds3

About methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate

methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate (PubChem CID 15007281) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate
PubChem CID15007281
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Namemethyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1-c1cccc(F)c1
InChIInChI=1S/C10H9FN4O2/c1-17-9(16)6-15-10(12-13-14-15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChIKeyMMYNYIUVVADLHM-UHFFFAOYSA-N
XLogP0.65
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate (CID 15007281) is methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate is COC(=O)Cn1nnnc1-c1cccc(F)c1.
What is the InChIKey of methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate?
The InChIKey is MMYNYIUVVADLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-17-9(16)6-15-10(12-13-14-15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate?
methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate has a molecular weight of 236.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-fluorophenyl)tetrazol-1-yl]acetate is sourced from PubChem (CID 15007281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).