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

C9H7FN4O2 — CID 57161320

IUPAC[5-(4-fluorophenyl)tetrazol-5-yl] acetate
SMILESCC(=O)OC1(c2ccc(F)cc2)N=NN=N1
InChIInChI=1S/C9H7FN4O2/c1-6(15)16-9(11-13-14-12-9)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyQOBZZMNHLNPUHD-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.33
Rot. Bonds2

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

[5-(4-fluorophenyl)tetrazol-5-yl] acetate (PubChem CID 57161320) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is [5-(4-fluorophenyl)tetrazol-5-yl] acetate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)tetrazol-5-yl] acetate
PubChem CID57161320
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name[5-(4-fluorophenyl)tetrazol-5-yl] acetate
SMILESCC(=O)OC1(c2ccc(F)cc2)N=NN=N1
InChIInChI=1S/C9H7FN4O2/c1-6(15)16-9(11-13-14-12-9)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKeyQOBZZMNHLNPUHD-UHFFFAOYSA-N
XLogP2.33
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 14538
CID 14538
CID 67572635
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CID 151717813
CID 151717813
CID 172804498
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CID 174522824
CID 174522824
CID 175741871
CID 175741871
CID 15275473
CID 15275473
CID 85564260
CID 85564260
CID 20197098
CID 20197098
CID 53785170
CID 53785170
CID 57007998
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CID 69644831
CID 69644831

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)tetrazol-5-yl] acetate?
The IUPAC name of [5-(4-fluorophenyl)tetrazol-5-yl] acetate (CID 57161320) is [5-(4-fluorophenyl)tetrazol-5-yl] acetate.
What is the SMILES notation for [5-(4-fluorophenyl)tetrazol-5-yl] acetate?
The canonical SMILES for [5-(4-fluorophenyl)tetrazol-5-yl] acetate is CC(=O)OC1(c2ccc(F)cc2)N=NN=N1.
What is the InChIKey of [5-(4-fluorophenyl)tetrazol-5-yl] acetate?
The InChIKey is QOBZZMNHLNPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-6(15)16-9(11-13-14-12-9)7-2-4-8(10)5-3-7/h2-5H,1H3.
What are the key properties of [5-(4-fluorophenyl)tetrazol-5-yl] acetate?
[5-(4-fluorophenyl)tetrazol-5-yl] acetate has a molecular weight of 222.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)tetrazol-5-yl] acetate is sourced from PubChem (CID 57161320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).