5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole

C14H9F3N4OS — CID 172603213

IUPAC5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1cc(-c3nn[nH]n3)cs1)O2
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)9-1-2-10-7(3-9)4-11(22-10)12-5-8(6-23-12)13-18-20-21-19-13/h1-3,5-6,11H,4H2,(H,18,19,20,21)
InChIKeyNJXCZUAGDOVNNV-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.62
Rot. Bonds2

About 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole

5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole (PubChem CID 172603213) has the molecular formula C14H9F3N4OS and a molecular weight of 338.31 g/mol. Its IUPAC name is 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole
PubChem CID172603213
Molecular FormulaC14H9F3N4OS
Molecular Weight338.31 g/mol
Exact Mass338.04
IUPAC Name5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1cc(-c3nn[nH]n3)cs1)O2
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)9-1-2-10-7(3-9)4-11(22-10)12-5-8(6-23-12)13-18-20-21-19-13/h1-3,5-6,11H,4H2,(H,18,19,20,21)
InChIKeyNJXCZUAGDOVNNV-UHFFFAOYSA-N
XLogP3.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole?
The IUPAC name of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole (CID 172603213) is 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole is FC(F)(F)c1ccc2c(c1)CC(c1cc(-c3nn[nH]n3)cs1)O2.
What is the InChIKey of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole?
The InChIKey is NJXCZUAGDOVNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS/c15-14(16,17)9-1-2-10-7(3-9)4-11(22-10)12-5-8(6-23-12)13-18-20-21-19-13/h1-3,5-6,11H,4H2,(H,18,19,20,21).
What are the key properties of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole?
5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole has a molecular weight of 338.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-3-yl]-2H-tetrazole is sourced from PubChem (CID 172603213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).