1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine

C15H23F8NO — CID 59204110

IUPAC1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H23F8NO/c1-10(2)11(25-9-8-24-6-4-3-5-7-24)13(18,19)15(22,23)14(20,21)12(16)17/h10-12H,3-9H2,1-2H3
InChIKeyKOXUIRHDGQOAQF-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.68
Rot. Bonds9

About 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine

1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine (PubChem CID 59204110) has the molecular formula C15H23F8NO and a molecular weight of 385.34 g/mol. Its IUPAC name is 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine
PubChem CID59204110
Molecular FormulaC15H23F8NO
Molecular Weight385.34 g/mol
Exact Mass385.17
IUPAC Name1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C15H23F8NO/c1-10(2)11(25-9-8-24-6-4-3-5-7-24)13(18,19)15(22,23)14(20,21)12(16)17/h10-12H,3-9H2,1-2H3
InChIKeyKOXUIRHDGQOAQF-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine (CID 59204110) is 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine is CC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine?
The InChIKey is KOXUIRHDGQOAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F8NO/c1-10(2)11(25-9-8-24-6-4-3-5-7-24)13(18,19)15(22,23)14(20,21)12(16)17/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine?
1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine has a molecular weight of 385.34 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine is sourced from PubChem (CID 59204110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).