(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol

C27H29F4N5O3 — CID 171759430

About (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol

(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 171759430) has the molecular formula C27H29F4N5O3 and a molecular weight of 547.55 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol
• PubChem CID: 171759430
• Molecular Formula: C27H29F4N5O3
• Molecular Weight: 547.55 g/mol
• Exact Mass: 547.22
• IUPAC Name: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol
• SMILES: CN1CCO[C@@H](COc2ccc(C34CC(C(F)(F)[C@](O)(Cn5cnnn5)c5ccc(F)cc5F)(C3)C4)cc2)C1
• InChI: InChI=1S/C27H29F4N5O3/c1-35-8-9-38-21(11-35)12-39-20-5-2-18(3-6-20)24-13-25(14-24,15-24)27(30,31)26(37,16-36-17-32-33-34-36)22-7-4-19(28)10-23(22)29/h2-7,10,17,21,37H,8-9,11-16H2,1H3/t21-,24?,25?,26+/m1/s1
• InChIKey: UZLYGDXUEXVYEL-DMDCLOPFSA-N
• XLogP: 3.31
• TPSA: 85.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.55
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?

The IUPAC name of (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol (CID 171759430) is (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol.

What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?

The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol is CN1CCO[C@@H](COc2ccc(C34CC(C(F)(F)[C@](O)(Cn5cnnn5)c5ccc(F)cc5F)(C3)C4)cc2)C1.

What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?

The InChIKey is UZLYGDXUEXVYEL-DMDCLOPFSA-N. The full InChI is InChI=1S/C27H29F4N5O3/c1-35-8-9-38-21(11-35)12-39-20-5-2-18(3-6-20)24-13-25(14-24,15-24)27(30,31)26(37,16-36-17-32-33-34-36)22-7-4-19(28)10-23(22)29/h2-7,10,17,21,37H,8-9,11-16H2,1H3/t21-,24?,25?,26+/m1/s1.

What are the key properties of (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?

(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 547.55 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-[[(2R)-4-methylmorpholin-2-yl]methoxy]phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 171759430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).