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

C20H13F3N4 — CID 73052366

IUPAC5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1C(F)F
InChIInChI=1S/C20H13F3N4/c21-17-11-5-6-12-18(17)27-20(24-25-26-27)16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(22)23/h1-12,19H
InChIKeyLIMMCBLDXDUVFL-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.07
Rot. Bonds4

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

5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73052366) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73052366
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1C(F)F
InChIInChI=1S/C20H13F3N4/c21-17-11-5-6-12-18(17)27-20(24-25-26-27)16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(22)23/h1-12,19H
InChIKeyLIMMCBLDXDUVFL-UHFFFAOYSA-N
XLogP5.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (CID 73052366) is 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1C(F)F.
What is the InChIKey of 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is LIMMCBLDXDUVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-17-11-5-6-12-18(17)27-20(24-25-26-27)16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(22)23/h1-12,19H.
What are the key properties of 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 366.35 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(difluoromethyl)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73052366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).