4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine

C16H27F6NO2 — CID 171595445

IUPAC4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCCOC(C(F)(F)F)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C16H27F6NO2/c1-13(2)9-11(10-14(3,4)23-13)24-7-5-6-8-25-12(15(17,18)19)16(20,21)22/h11-12,23H,5-10H2,1-4H3
InChIKeyYHWCESHTMVKSPY-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.60
Rot. Bonds7

About 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine

4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 171595445) has the molecular formula C16H27F6NO2 and a molecular weight of 379.39 g/mol. Its IUPAC name is 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID171595445
Molecular FormulaC16H27F6NO2
Molecular Weight379.39 g/mol
Exact Mass379.19
IUPAC Name4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(OCCCCOC(C(F)(F)F)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C16H27F6NO2/c1-13(2)9-11(10-14(3,4)23-13)24-7-5-6-8-25-12(15(17,18)19)16(20,21)22/h11-12,23H,5-10H2,1-4H3
InChIKeyYHWCESHTMVKSPY-UHFFFAOYSA-N
XLogP4.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine (CID 171595445) is 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CC(OCCCCOC(C(F)(F)F)C(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is YHWCESHTMVKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F6NO2/c1-13(2)9-11(10-14(3,4)23-13)24-7-5-6-8-25-12(15(17,18)19)16(20,21)22/h11-12,23H,5-10H2,1-4H3.
What are the key properties of 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine?
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 379.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 171595445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).