4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine

C42H72F2N4O4 — CID 139317266

IUPAC4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2c(F)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(F)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H72F2N4O4/c1-35(2)17-25(18-36(3,4)45-35)49-31-29(43)33(51-27-21-39(9,10)47-40(11,12)22-27)34(52-28-23-41(13,14)48-42(15,16)24-28)30(44)32(31)50-26-19-37(5,6)46-38(7,8)20-26/h25-28,45-48H,17-24H2,1-16H3
InChIKeyPFAHFVRPOYBKOI-UHFFFAOYSA-N
MW735.06 g/mol
LogP8.72
Rot. Bonds8

About 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine

4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 139317266) has the molecular formula C42H72F2N4O4 and a molecular weight of 735.06 g/mol. Its IUPAC name is 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID139317266
Molecular FormulaC42H72F2N4O4
Molecular Weight735.06 g/mol
Exact Mass734.55
IUPAC Name4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(Oc2c(F)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(F)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H72F2N4O4/c1-35(2)17-25(18-36(3,4)45-35)49-31-29(43)33(51-27-21-39(9,10)47-40(11,12)22-27)34(52-28-23-41(13,14)48-42(15,16)24-28)30(44)32(31)50-26-19-37(5,6)46-38(7,8)20-26/h25-28,45-48H,17-24H2,1-16H3
InChIKeyPFAHFVRPOYBKOI-UHFFFAOYSA-N
XLogP8.72
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.06
LogP ≤ 58.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine (CID 139317266) is 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(Oc2c(F)c(OC3CC(C)(C)NC(C)(C)C3)c(OC3CC(C)(C)NC(C)(C)C3)c(F)c2OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is PFAHFVRPOYBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H72F2N4O4/c1-35(2)17-25(18-36(3,4)45-35)49-31-29(43)33(51-27-21-39(9,10)47-40(11,12)22-27)34(52-28-23-41(13,14)48-42(15,16)24-28)30(44)32(31)50-26-19-37(5,6)46-38(7,8)20-26/h25-28,45-48H,17-24H2,1-16H3.
What are the key properties of 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine?
4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 735.06 g/mol, XLogP of 8.72, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-difluoro-3,4,6-tris[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]phenoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 139317266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).