5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole

C17H11F3N4O — CID 18950881

IUPAC5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole
SMILESCc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(C(F)(F)F)c2c1
InChIInChI=1S/C17H11F3N4O/c1-9-6-7-13-12(8-9)14(17(18,19)20)15(25-13)10-4-2-3-5-11(10)16-21-23-24-22-16/h2-8H,1H3,(H,21,22,23,24)
InChIKeyQWJYUYVDUCVTRS-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.61
Rot. Bonds2

About 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole

5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole (PubChem CID 18950881) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole
PubChem CID18950881
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole
SMILESCc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(C(F)(F)F)c2c1
InChIInChI=1S/C17H11F3N4O/c1-9-6-7-13-12(8-9)14(17(18,19)20)15(25-13)10-4-2-3-5-11(10)16-21-23-24-22-16/h2-8H,1H3,(H,21,22,23,24)
InChIKeyQWJYUYVDUCVTRS-UHFFFAOYSA-N
XLogP4.61
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole (CID 18950881) is 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole is Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(C(F)(F)F)c2c1.
What is the InChIKey of 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole?
The InChIKey is QWJYUYVDUCVTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c1-9-6-7-13-12(8-9)14(17(18,19)20)15(25-13)10-4-2-3-5-11(10)16-21-23-24-22-16/h2-8H,1H3,(H,21,22,23,24).
What are the key properties of 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole?
5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole has a molecular weight of 344.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole is sourced from PubChem (CID 18950881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).