5-[3-(trifluoromethyl)phenyl]-2H-tetrazole

C8H5F3N4 — CID 706933

IUPAC5-[3-(trifluoromethyl)phenyl]-2H-tetrazole
SMILESFC(F)(F)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKeyKWSLGOVYXMQPPX-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.89
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole

5-[3-(trifluoromethyl)phenyl]-2H-tetrazole (PubChem CID 706933) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-2H-tetrazole
PubChem CID706933
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name5-[3-(trifluoromethyl)phenyl]-2H-tetrazole
SMILESFC(F)(F)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKeyKWSLGOVYXMQPPX-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole (CID 706933) is 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole is FC(F)(F)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole?
The InChIKey is KWSLGOVYXMQPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole?
5-[3-(trifluoromethyl)phenyl]-2H-tetrazole has a molecular weight of 214.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 706933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).