5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole

C13H8F2N4O — CID 70704186

IUPAC5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole
SMILESFc1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H8F2N4O/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(15)12(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
InChIKeyMRBODCBPSSHLKG-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.94
Rot. Bonds3

About 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole

5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole (PubChem CID 70704186) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole
PubChem CID70704186
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole
SMILESFc1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H8F2N4O/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(15)12(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
InChIKeyMRBODCBPSSHLKG-UHFFFAOYSA-N
XLogP2.94
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole (CID 70704186) is 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole is Fc1ccc(Oc2cccc(F)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole?
The InChIKey is MRBODCBPSSHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(15)12(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19).
What are the key properties of 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole?
5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole has a molecular weight of 274.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole is sourced from PubChem (CID 70704186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).