5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole

C20H14F2N4 — CID 73052842

IUPAC5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C20H14F2N4/c21-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)20-23-24-25-26(20)19-12-6-5-11-18(19)22/h1-12H,13H2
InChIKeyDGMGCAPPEXKLGO-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.60
Rot. Bonds4

About 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole

5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73052842) has the molecular formula C20H14F2N4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73052842
Molecular FormulaC20H14F2N4
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C20H14F2N4/c21-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)20-23-24-25-26(20)19-12-6-5-11-18(19)22/h1-12H,13H2
InChIKeyDGMGCAPPEXKLGO-UHFFFAOYSA-N
XLogP4.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (CID 73052842) is 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is FCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is DGMGCAPPEXKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4/c21-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)20-23-24-25-26(20)19-12-6-5-11-18(19)22/h1-12H,13H2.
What are the key properties of 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 348.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(fluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73052842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).