1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine

C14H22F7NO — CID 59204103

IUPAC1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO/c1-10(2)11(12(15,16)13(17,18)14(19,20)21)23-9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3
InChIKeyKVRYMCHAXDTOKU-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.35
Rot. Bonds7

About 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine

1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine (PubChem CID 59204103) has the molecular formula C14H22F7NO and a molecular weight of 353.32 g/mol. Its IUPAC name is 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine
PubChem CID59204103
Molecular FormulaC14H22F7NO
Molecular Weight353.32 g/mol
Exact Mass353.16
IUPAC Name1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO/c1-10(2)11(12(15,16)13(17,18)14(19,20)21)23-9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3
InChIKeyKVRYMCHAXDTOKU-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,4,4,4-Hexafluorobutyl)-2-(1,1,2,3,3,3-hexafluoropropyl)morpholine
CID 17997707
2-Propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine
CID 58468999
4-[2-(4,4,5,5,6,6,6-Heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine
CID 59012961
4-[2-(1,1,1,2,2-Pentafluoro-4-methylpentan-3-yl)oxyethyl]morpholine
CID 59012964
1-[2-(1,1,1,3,3-Pentafluoropropan-2-yloxy)ethyl]piperidine
CID 59012991
4-[2-(4,4,5,5,6,6,7,7-Octafluoro-2-methylheptan-3-yl)oxyethyl]morpholine
CID 59013013
1-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
CID 59203952
1-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]piperidine
CID 59204085
1-[2-(4,4,5,5,6,6,7,7-Octafluoro-2-methylheptan-3-yl)oxyethyl]piperidine
CID 59204110
1-[2-(1,1,1,2,2-Pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine
CID 59204134
N-butyl-N-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]butan-1-amine
CID 59383783
N-butyl-N-[2-(4,4,5,5,6,6,7,7-octafluoro-2-methylheptan-3-yl)oxyethyl]butan-1-amine
CID 59383793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine (CID 59204103) is 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine is CC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine?
The InChIKey is KVRYMCHAXDTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F7NO/c1-10(2)11(12(15,16)13(17,18)14(19,20)21)23-9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine?
1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine has a molecular weight of 353.32 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]piperidine is sourced from PubChem (CID 59204103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).