5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole

C8H6F2N4O — CID 2990635

IUPAC5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole
SMILESFc1ccc(OCc2nn[nH]n2)c(F)c1
InChIInChI=1S/C8H6F2N4O/c9-5-1-2-7(6(10)3-5)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKeyLULOBQGTSJYLJI-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.06
Rot. Bonds3

About 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole

5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole (PubChem CID 2990635) has the molecular formula C8H6F2N4O and a molecular weight of 212.16 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole
PubChem CID2990635
Molecular FormulaC8H6F2N4O
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole
SMILESFc1ccc(OCc2nn[nH]n2)c(F)c1
InChIInChI=1S/C8H6F2N4O/c9-5-1-2-7(6(10)3-5)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKeyLULOBQGTSJYLJI-UHFFFAOYSA-N
XLogP1.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole (CID 2990635) is 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole is Fc1ccc(OCc2nn[nH]n2)c(F)c1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole?
The InChIKey is LULOBQGTSJYLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O/c9-5-1-2-7(6(10)3-5)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole?
5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole has a molecular weight of 212.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 2990635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).