1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine

C13H22F5NO — CID 59204134

IUPAC1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H22F5NO/c1-10(2)11(12(14,15)13(16,17)18)20-9-8-19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3
InChIKeyUVWDNKFHSHPSTC-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.71
Rot. Bonds6

About 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine

1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine (PubChem CID 59204134) has the molecular formula C13H22F5NO and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine
PubChem CID59204134
Molecular FormulaC13H22F5NO
Molecular Weight303.31 g/mol
Exact Mass303.16
IUPAC Name1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine
SMILESCC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H22F5NO/c1-10(2)11(12(14,15)13(16,17)18)20-9-8-19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3
InChIKeyUVWDNKFHSHPSTC-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.71
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-Methylpentyl)morpholine
CID 20201055
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
4-(2,2,3,4,4,4-Hexafluorobutyl)-2-(1,1,2,3,3,3-hexafluoropropyl)morpholine
CID 17997707
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
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
4-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine
CID 59012982
1-[2-(1,1,1,3,3-Pentafluoropropan-2-yloxy)ethyl]piperidine
CID 59012991
1-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
CID 59203952
N-butyl-N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]butan-1-amine
CID 59203960
1-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]piperidine
CID 59204085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine?
The IUPAC name of 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine (CID 59204134) is 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine.
What is the SMILES notation for 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine?
The canonical SMILES for 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine is CC(C)C(OCCN1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine?
The InChIKey is UVWDNKFHSHPSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F5NO/c1-10(2)11(12(14,15)13(16,17)18)20-9-8-19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine?
1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine has a molecular weight of 303.31 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1,2,2-pentafluoro-4-methylpentan-3-yl)oxyethyl]piperidine is sourced from PubChem (CID 59204134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).