4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine

C32H30F9NO4S — CID 175102548

About 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine

4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine (PubChem CID 175102548) has the molecular formula C32H30F9NO4S and a molecular weight of 695.64 g/mol. Its IUPAC name is 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine.

Molecular Properties

• Compound Name: 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine
• PubChem CID: 175102548
• Molecular Formula: C32H30F9NO4S
• Molecular Weight: 695.64 g/mol
• Exact Mass: 695.18
• IUPAC Name: 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine
• SMILES: O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCN(C2CCCCO2)CC1
• InChI: InChI=1S/C32H30F9NO4S/c33-23-11-13-24(14-12-23)47(43,44)29(15-17-42(18-16-29)28-6-1-2-19-45-28)21-7-9-22(10-8-21)30(31(36,37)38,32(39,40)41)46-20-25-26(34)4-3-5-27(25)35/h3-5,7-14,28H,1-2,6,15-20H2
• InChIKey: DPOYDMTYRFFPQR-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 55.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.64
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine?

The IUPAC name of 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine (CID 175102548) is 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine.

What is the SMILES notation for 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine?

The canonical SMILES for 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)CCN(C2CCCCO2)CC1.

What is the InChIKey of 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine?

The InChIKey is DPOYDMTYRFFPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F9NO4S/c33-23-11-13-24(14-12-23)47(43,44)29(15-17-42(18-16-29)28-6-1-2-19-45-28)21-7-9-22(10-8-21)30(31(36,37)38,32(39,40)41)46-20-25-26(34)4-3-5-27(25)35/h3-5,7-14,28H,1-2,6,15-20H2.

What are the key properties of 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine?

4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine has a molecular weight of 695.64 g/mol, XLogP of 7.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-4-(4-fluorophenyl)sulfonyl-1-(oxan-2-yl)piperidine is sourced from PubChem (CID 175102548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).