5-(2,6-difluorophenyl)-2-ethyltetrazole

C9H8F2N4 — CID 143805433

IUPAC5-(2,6-difluorophenyl)-2-ethyltetrazole
SMILESCCn1nnc(-c2c(F)cccc2F)n1
InChIInChI=1S/C9H8F2N4/c1-2-15-13-9(12-14-15)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChIKeyFYAXJLJFDGHFPQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.64
Rot. Bonds2

About 5-(2,6-difluorophenyl)-2-ethyltetrazole

5-(2,6-difluorophenyl)-2-ethyltetrazole (PubChem CID 143805433) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-ethyltetrazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-ethyltetrazole
PubChem CID143805433
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name5-(2,6-difluorophenyl)-2-ethyltetrazole
SMILESCCn1nnc(-c2c(F)cccc2F)n1
InChIInChI=1S/C9H8F2N4/c1-2-15-13-9(12-14-15)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChIKeyFYAXJLJFDGHFPQ-UHFFFAOYSA-N
XLogP1.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-ethyltetrazole?
The IUPAC name of 5-(2,6-difluorophenyl)-2-ethyltetrazole (CID 143805433) is 5-(2,6-difluorophenyl)-2-ethyltetrazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-ethyltetrazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-ethyltetrazole is CCn1nnc(-c2c(F)cccc2F)n1.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-ethyltetrazole?
The InChIKey is FYAXJLJFDGHFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c1-2-15-13-9(12-14-15)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3.
What are the key properties of 5-(2,6-difluorophenyl)-2-ethyltetrazole?
5-(2,6-difluorophenyl)-2-ethyltetrazole has a molecular weight of 210.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-ethyltetrazole is sourced from PubChem (CID 143805433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).