2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol

C21H16F4N6O2 — CID 71138859

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71138859) has the molecular formula C21H16F4N6O2 and a molecular weight of 460.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol
• PubChem CID: 71138859
• Molecular Formula: C21H16F4N6O2
• Molecular Weight: 460.39 g/mol
• Exact Mass: 460.13
• IUPAC Name: 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol
• SMILES: COc1ccc(-c2cnc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)cn2)cc1
• InChI: InChI=1S/C21H16F4N6O2/c1-33-15-5-2-13(3-6-15)18-9-27-19(10-26-18)21(24,25)20(32,11-31-12-28-29-30-31)16-7-4-14(22)8-17(16)23/h2-10,12,32H,11H2,1H3
• InChIKey: JLHUZXNJGGGINI-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 98.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol?

The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol (CID 71138859) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol.

What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol?

The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol is COc1ccc(-c2cnc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)cn2)cc1.

What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol?

The InChIKey is JLHUZXNJGGGINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N6O2/c1-33-15-5-2-13(3-6-15)18-9-27-19(10-26-18)21(24,25)20(32,11-31-12-28-29-30-31)16-7-4-14(22)8-17(16)23/h2-10,12,32H,11H2,1H3.

What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol?

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 460.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71138859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).