1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine

C15H20F11NO — CID 130418420

IUPAC1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine
SMILESCC(OC(C)C(F)(F)C(N1CCCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H20F11NO/c1-8(12(17,18)10(16)14(21,22)23)28-9(2)13(19,20)11(15(24,25)26)27-6-4-3-5-7-27/h8-11H,3-7H2,1-2H3
InChIKeySOQOHPFLEBUVJO-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.37
Rot. Bonds7

About 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine

1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine (PubChem CID 130418420) has the molecular formula C15H20F11NO and a molecular weight of 439.31 g/mol. Its IUPAC name is 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine
PubChem CID130418420
Molecular FormulaC15H20F11NO
Molecular Weight439.31 g/mol
Exact Mass439.14
IUPAC Name1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine
SMILESCC(OC(C)C(F)(F)C(N1CCCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H20F11NO/c1-8(12(17,18)10(16)14(21,22)23)28-9(2)13(19,20)11(15(24,25)26)27-6-4-3-5-7-27/h8-11H,3-7H2,1-2H3
InChIKeySOQOHPFLEBUVJO-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 18722957
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
CID 18725560
4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115
3-Fluoro-1-methyl-4-propan-2-yloxypiperidine
CID 59176306
1-Ethyl-4-(trifluoromethoxy)piperidine
CID 69938774
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine
CID 89026079
(3S,4S)-4-ethoxy-3-fluoro-1-methylpiperidine
CID 89026086

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine?
The IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine (CID 130418420) is 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine.
What is the SMILES notation for 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine?
The canonical SMILES for 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine is CC(OC(C)C(F)(F)C(N1CCCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine?
The InChIKey is SOQOHPFLEBUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F11NO/c1-8(12(17,18)10(16)14(21,22)23)28-9(2)13(19,20)11(15(24,25)26)27-6-4-3-5-7-27/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine?
1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine has a molecular weight of 439.31 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperidine is sourced from PubChem (CID 130418420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).