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

C22H17F5N6O — CID 71139062

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

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol (PubChem CID 71139062) has the molecular formula C22H17F5N6O and a molecular weight of 476.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol
• PubChem CID: 71139062
• Molecular Formula: C22H17F5N6O
• Molecular Weight: 476.41 g/mol
• Exact Mass: 476.14
• IUPAC Name: 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol
• SMILES: OC(Cn1ncnn1)(c1ccc(F)cc1F)C(F)(F)c1cnc(CCc2ccc(F)cc2)cn1
• InChI: InChI=1S/C22H17F5N6O/c23-15-4-1-14(2-5-15)3-7-17-10-29-20(11-28-17)22(26,27)21(34,12-33-31-13-30-32-33)18-8-6-16(24)9-19(18)25/h1-2,4-6,8-11,13,34H,3,7,12H2
• InChIKey: DUSGQISEKVGKFY-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 89.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.41
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol (CID 71139062) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol.

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

The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol is OC(Cn1ncnn1)(c1ccc(F)cc1F)C(F)(F)c1cnc(CCc2ccc(F)cc2)cn1.

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

The InChIKey is DUSGQISEKVGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5N6O/c23-15-4-1-14(2-5-15)3-7-17-10-29-20(11-28-17)22(26,27)21(34,12-33-31-13-30-32-33)18-8-6-16(24)9-19(18)25/h1-2,4-6,8-11,13,34H,3,7,12H2.

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

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol has a molecular weight of 476.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-(4-fluorophenyl)ethyl]pyrazin-2-yl]-3-(tetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 71139062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).