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

C16H13F3N4 — CID 7465761

IUPAC5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
SMILESCc1ccc(-c2nnn(Cc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F3N4/c1-11-6-8-12(9-7-11)15-20-22-23(21-15)10-13-4-2-3-5-14(13)16(17,18)19/h2-9H,10H2,1H3
InChIKeyDBCVXHZXKTZKBE-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.72
Rot. Bonds3

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

5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole (PubChem CID 7465761) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
PubChem CID7465761
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC Name5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
SMILESCc1ccc(-c2nnn(Cc3ccccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F3N4/c1-11-6-8-12(9-7-11)15-20-22-23(21-15)10-13-4-2-3-5-14(13)16(17,18)19/h2-9H,10H2,1H3
InChIKeyDBCVXHZXKTZKBE-UHFFFAOYSA-N
XLogP3.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7630474
4-[2-[(2-methylphenyl)methyl]tetrazol-5-yl]benzoate
CID 6987693
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 18099850
5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole?
The IUPAC name of 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole (CID 7465761) is 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole?
The canonical SMILES for 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole is Cc1ccc(-c2nnn(Cc3ccccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole?
The InChIKey is DBCVXHZXKTZKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4/c1-11-6-8-12(9-7-11)15-20-22-23(21-15)10-13-4-2-3-5-14(13)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole?
5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole has a molecular weight of 318.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole is sourced from PubChem (CID 7465761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).