4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine

C13H18F9NO — CID 165129281

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C13H18F9NO/c1-8(2)5-7(6-9(3,4)23-8)24-10(11(14,15)16,12(17,18)19)13(20,21)22/h7,23H,5-6H2,1-4H3
InChIKeyBVFYIZITHMIGJB-UHFFFAOYSA-N
MW375.28 g/mol
LogP4.74
Rot. Bonds2

About 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine

4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine (PubChem CID 165129281) has the molecular formula C13H18F9NO and a molecular weight of 375.28 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine
PubChem CID165129281
Molecular FormulaC13H18F9NO
Molecular Weight375.28 g/mol
Exact Mass375.12
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C13H18F9NO/c1-8(2)5-7(6-9(3,4)23-8)24-10(11(14,15)16,12(17,18)19)13(20,21)22/h7,23H,5-6H2,1-4H3
InChIKeyBVFYIZITHMIGJB-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine (CID 165129281) is 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is BVFYIZITHMIGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F9NO/c1-8(2)5-7(6-9(3,4)23-8)24-10(11(14,15)16,12(17,18)19)13(20,21)22/h7,23H,5-6H2,1-4H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine?
4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 375.28 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 165129281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).