5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole

C15H11F3N4 — CID 157133438

IUPAC5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
SMILESFC(F)(F)c1ccc(Cc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14-19-21-22-20-14/h1-8H,9H2,(H,19,20,21,22)
InChIKeySAZAUEWSDGPIRJ-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.48
Rot. Bonds3

About 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole

5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole (PubChem CID 157133438) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
PubChem CID157133438
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
SMILESFC(F)(F)c1ccc(Cc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14-19-21-22-20-14/h1-8H,9H2,(H,19,20,21,22)
InChIKeySAZAUEWSDGPIRJ-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159208461
5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159309326
(1-methylpyrazol-4-yl)boronic acid;2-(1-methylpyrazol-4-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazole;5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 158413987
4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane;2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazole;5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159846628
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2,3-dihydro-1H-tetrazole
CID 158213423
1-[1-[[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethane-1,1-dithiol
CID 139834987
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
5-[2-[[4-[[3-(1,1-difluorobutyl)-5-propyl-1,2,4-triazol-1-yl]methyl]phenyl]methyl]phenyl]-2H-tetrazole
CID 19903826
3-(2H-tetrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[b]pyrrol-2-one
CID 10429282
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 135372289
1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
CID 158381907
5-[2-[[4-[[3-(1,1-difluorobutyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]phenyl]methyl]phenyl]-2H-tetrazole
CID 19904206

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole (CID 157133438) is 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole is FC(F)(F)c1ccc(Cc2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
The InChIKey is SAZAUEWSDGPIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14-19-21-22-20-14/h1-8H,9H2,(H,19,20,21,22).
What are the key properties of 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole has a molecular weight of 304.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 157133438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).