[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate

C9H7FN4O2 — CID 91472703

IUPAC[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate
SMILESO=COC(c1nn[nH]n1)c1ccccc1F
InChIInChI=1S/C9H7FN4O2/c10-7-4-2-1-3-6(7)8(16-5-15)9-11-13-14-12-9/h1-5,8H,(H,11,12,13,14)
InChIKeyRYLLBASMYLQBPE-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.60
Rot. Bonds4

About [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate

[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate (PubChem CID 91472703) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate.

Molecular Properties

Compound Name[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate
PubChem CID91472703
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate
SMILESO=COC(c1nn[nH]n1)c1ccccc1F
InChIInChI=1S/C9H7FN4O2/c10-7-4-2-1-3-6(7)8(16-5-15)9-11-13-14-12-9/h1-5,8H,(H,11,12,13,14)
InChIKeyRYLLBASMYLQBPE-UHFFFAOYSA-N
XLogP0.60
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate?
The IUPAC name of [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate (CID 91472703) is [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate.
What is the SMILES notation for [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate?
The canonical SMILES for [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate is O=COC(c1nn[nH]n1)c1ccccc1F.
What is the InChIKey of [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate?
The InChIKey is RYLLBASMYLQBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-7-4-2-1-3-6(7)8(16-5-15)9-11-13-14-12-9/h1-5,8H,(H,11,12,13,14).
What are the key properties of [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate?
[(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate has a molecular weight of 222.18 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)-(2H-tetrazol-5-yl)methyl] formate is sourced from PubChem (CID 91472703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).