5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole

C14H15F3N4 — CID 171655869

IUPAC5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole
SMILESCc1ccc(-c2nnn(C3CC(C(F)(F)F)C3)n2)cc1C
InChIInChI=1S/C14H15F3N4/c1-8-3-4-10(5-9(8)2)13-18-20-21(19-13)12-6-11(7-12)14(15,16)17/h3-5,11-12H,6-7H2,1-2H3
InChIKeyLGHTYLVEYODTGT-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.47
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole

5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole (PubChem CID 171655869) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole
PubChem CID171655869
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole
SMILESCc1ccc(-c2nnn(C3CC(C(F)(F)F)C3)n2)cc1C
InChIInChI=1S/C14H15F3N4/c1-8-3-4-10(5-9(8)2)13-18-20-21(19-13)12-6-11(7-12)14(15,16)17/h3-5,11-12H,6-7H2,1-2H3
InChIKeyLGHTYLVEYODTGT-UHFFFAOYSA-N
XLogP3.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole (CID 171655869) is 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole is Cc1ccc(-c2nnn(C3CC(C(F)(F)F)C3)n2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole?
The InChIKey is LGHTYLVEYODTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-8-3-4-10(5-9(8)2)13-18-20-21(19-13)12-6-11(7-12)14(15,16)17/h3-5,11-12H,6-7H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole?
5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole has a molecular weight of 296.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)cyclobutyl]tetrazole is sourced from PubChem (CID 171655869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).