5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole

C18H12F4N4O2 — CID 134145195

IUPAC5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole
SMILESFc1ccc(OC(F)(F)F)cc1-c1ccc2oc(CCc3nn[nH]n3)cc2c1
InChIInChI=1S/C18H12F4N4O2/c19-15-4-2-13(28-18(20,21)22)9-14(15)10-1-5-16-11(7-10)8-12(27-16)3-6-17-23-25-26-24-17/h1-2,4-5,7-9H,3,6H2,(H,23,24,25,26)
InChIKeyOOKJDEWYOSGUHO-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.44
Rot. Bonds5

About 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole

5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole (PubChem CID 134145195) has the molecular formula C18H12F4N4O2 and a molecular weight of 392.31 g/mol. Its IUPAC name is 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole
PubChem CID134145195
Molecular FormulaC18H12F4N4O2
Molecular Weight392.31 g/mol
Exact Mass392.09
IUPAC Name5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole
SMILESFc1ccc(OC(F)(F)F)cc1-c1ccc2oc(CCc3nn[nH]n3)cc2c1
InChIInChI=1S/C18H12F4N4O2/c19-15-4-2-13(28-18(20,21)22)9-14(15)10-1-5-16-11(7-10)8-12(27-16)3-6-17-23-25-26-24-17/h1-2,4-5,7-9H,3,6H2,(H,23,24,25,26)
InChIKeyOOKJDEWYOSGUHO-UHFFFAOYSA-N
XLogP4.44
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole (CID 134145195) is 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole is Fc1ccc(OC(F)(F)F)cc1-c1ccc2oc(CCc3nn[nH]n3)cc2c1.
What is the InChIKey of 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole?
The InChIKey is OOKJDEWYOSGUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O2/c19-15-4-2-13(28-18(20,21)22)9-14(15)10-1-5-16-11(7-10)8-12(27-16)3-6-17-23-25-26-24-17/h1-2,4-5,7-9H,3,6H2,(H,23,24,25,26).
What are the key properties of 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole?
5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole has a molecular weight of 392.31 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole is sourced from PubChem (CID 134145195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).