1-[3-(trifluoromethyl)phenyl]tetrazole

C8H5F3N4 — CID 825506

IUPAC1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-2-1-3-7(4-6)15-5-12-13-14-15/h1-5H
InChIKeyKTIIWHHDNORXPA-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.68
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]tetrazole

1-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 825506) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID825506
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-2-1-3-7(4-6)15-5-12-13-14-15/h1-5H
InChIKeyKTIIWHHDNORXPA-UHFFFAOYSA-N
XLogP1.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]tetrazole (CID 825506) is 1-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is KTIIWHHDNORXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)6-2-1-3-7(4-6)15-5-12-13-14-15/h1-5H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]tetrazole?
1-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 214.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 825506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).