2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole

C15H19FN4 — CID 171656157

IUPAC2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole
SMILESCc1cc(C)c(-c2nnn(C3CC(C)(F)C3)n2)cc1C
InChIInChI=1S/C15H19FN4/c1-9-5-11(3)13(6-10(9)2)14-17-19-20(18-14)12-7-15(4,16)8-12/h5-6,12H,7-8H2,1-4H3
InChIKeyXSFJUOWYQQHHAK-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.33
Rot. Bonds2

About 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole

2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole (PubChem CID 171656157) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole.

Molecular Properties

Compound Name2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole
PubChem CID171656157
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole
SMILESCc1cc(C)c(-c2nnn(C3CC(C)(F)C3)n2)cc1C
InChIInChI=1S/C15H19FN4/c1-9-5-11(3)13(6-10(9)2)14-17-19-20(18-14)12-7-15(4,16)8-12/h5-6,12H,7-8H2,1-4H3
InChIKeyXSFJUOWYQQHHAK-UHFFFAOYSA-N
XLogP3.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole?
The IUPAC name of 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole (CID 171656157) is 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole.
What is the SMILES notation for 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole?
The canonical SMILES for 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole is Cc1cc(C)c(-c2nnn(C3CC(C)(F)C3)n2)cc1C.
What is the InChIKey of 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole?
The InChIKey is XSFJUOWYQQHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-9-5-11(3)13(6-10(9)2)14-17-19-20(18-14)12-7-15(4,16)8-12/h5-6,12H,7-8H2,1-4H3.
What are the key properties of 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole?
2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole has a molecular weight of 274.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylcyclobutyl)-5-(2,4,5-trimethylphenyl)tetrazole is sourced from PubChem (CID 171656157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).