2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate

C9H6FN4O2- — CID 7162463

IUPAC2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate
SMILESO=C([O-])Cn1nnnc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)/p-1
InChIKeyVYBGEGDYQAUDQP-UHFFFAOYSA-M
MW221.17 g/mol
LogP-0.77
Rot. Bonds3

About 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate

2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate (PubChem CID 7162463) has the molecular formula C9H6FN4O2- and a molecular weight of 221.17 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate
PubChem CID7162463
Molecular FormulaC9H6FN4O2-
Molecular Weight221.17 g/mol
Exact Mass221.05
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate
SMILESO=C([O-])Cn1nnnc1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN4O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)/p-1
InChIKeyVYBGEGDYQAUDQP-UHFFFAOYSA-M
XLogP-0.77
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate (CID 7162463) is 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate is O=C([O-])Cn1nnnc1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate?
The InChIKey is VYBGEGDYQAUDQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7FN4O2/c10-7-3-1-6(2-4-7)9-11-12-13-14(9)5-8(15)16/h1-4H,5H2,(H,15,16)/p-1.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate?
2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate has a molecular weight of 221.17 g/mol, XLogP of -0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-1-yl]acetate is sourced from PubChem (CID 7162463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).