1-phenyl-5-(trifluoromethyl)tetrazole

C8H5F3N4 — CID 11206655

IUPAC1-phenyl-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1-c1ccccc1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-12-13-14-15(7)6-4-2-1-3-5-6/h1-5H
InChIKeyFOFLYFGTOIXFJV-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.68
Rot. Bonds1

About 1-phenyl-5-(trifluoromethyl)tetrazole

1-phenyl-5-(trifluoromethyl)tetrazole (PubChem CID 11206655) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 1-phenyl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(trifluoromethyl)tetrazole
PubChem CID11206655
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name1-phenyl-5-(trifluoromethyl)tetrazole
SMILESFC(F)(F)c1nnnn1-c1ccccc1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)7-12-13-14-15(7)6-4-2-1-3-5-6/h1-5H
InChIKeyFOFLYFGTOIXFJV-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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Related Compounds

5-(1,1,2,2,2-pentafluoroethyl)-1-phenyltetrazole
CID 87664913
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)tetrazole
CID 15470711
N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
1-phenyltetrazole-5-selenol
CID 173399228
1-(4-propoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 23117996
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-5-(trifluoromethyl)tetrazole
CID 68953314
10-phenyl-7-(trifluoromethyl)-3,4,5,6,8,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 8009264
[4-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] 2-methylpropanoate
CID 24797877

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-phenyl-5-(trifluoromethyl)tetrazole (CID 11206655) is 1-phenyl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(trifluoromethyl)tetrazole is FC(F)(F)c1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(trifluoromethyl)tetrazole?
The InChIKey is FOFLYFGTOIXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)7-12-13-14-15(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1-phenyl-5-(trifluoromethyl)tetrazole?
1-phenyl-5-(trifluoromethyl)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-phenyl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 11206655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).