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

C14H9F3N4OS — CID 172603108

IUPAC5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1ccc(-c3nn[nH]n3)s1)O2
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)8-1-2-9-7(5-8)6-10(22-9)11-3-4-12(23-11)13-18-20-21-19-13/h1-5,10H,6H2,(H,18,19,20,21)
InChIKeyPKNUIMZVAKZDKW-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.62
Rot. Bonds2

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

5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole (PubChem CID 172603108) 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-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole
PubChem CID172603108
Molecular FormulaC14H9F3N4OS
Molecular Weight338.31 g/mol
Exact Mass338.04
IUPAC Name5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1ccc(-c3nn[nH]n3)s1)O2
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)8-1-2-9-7(5-8)6-10(22-9)11-3-4-12(23-11)13-18-20-21-19-13/h1-5,10H,6H2,(H,18,19,20,21)
InChIKeyPKNUIMZVAKZDKW-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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Related Compounds

CID 172602985
CID 172602985
CID 127043016
CID 127043016
CID 178269821
CID 178269821
CID 132298100
CID 132298100
CID 60197446
CID 60197446
CID 172602805
CID 172602805
CID 172602819
CID 172602819
CID 172602959
CID 172602959
CID 172603061
CID 172603061
CID 172603213
CID 172603213
CID 172603273
CID 172603273
CID 172603276
CID 172603276

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole?
The IUPAC name of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole (CID 172603108) is 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole is FC(F)(F)c1ccc2c(c1)CC(c1ccc(-c3nn[nH]n3)s1)O2.
What is the InChIKey of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole?
The InChIKey is PKNUIMZVAKZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS/c15-14(16,17)8-1-2-9-7(5-8)6-10(22-9)11-3-4-12(23-11)13-18-20-21-19-13/h1-5,10H,6H2,(H,18,19,20,21).
What are the key properties of 5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-yl]-2H-tetrazole?
5-[5-[5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]thiophen-2-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-2-yl]-2H-tetrazole is sourced from PubChem (CID 172603108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).