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

C16H19F14NO — CID 130418435

IUPAC1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine
SMILESCC(OC(C)C(F)(F)C(N1CCC(C(F)(F)F)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C16H19F14NO/c1-7(12(18,19)10(17)15(25,26)27)32-8(2)13(20,21)11(16(28,29)30)31-5-3-9(4-6-31)14(22,23)24/h7-11H,3-6H2,1-2H3
InChIKeyFIZPYGAUEJECFF-UHFFFAOYSA-N
MW507.31 g/mol
LogP6.16
Rot. Bonds7

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

1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine (PubChem CID 130418435) has the molecular formula C16H19F14NO and a molecular weight of 507.31 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]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine
PubChem CID130418435
Molecular FormulaC16H19F14NO
Molecular Weight507.31 g/mol
Exact Mass507.12
IUPAC Name1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine
SMILESCC(OC(C)C(F)(F)C(N1CCC(C(F)(F)F)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C16H19F14NO/c1-7(12(18,19)10(17)15(25,26)27)32-8(2)13(20,21)11(16(28,29)30)31-5-3-9(4-6-31)14(22,23)24/h7-11H,3-6H2,1-2H3
InChIKeyFIZPYGAUEJECFF-UHFFFAOYSA-N
XLogP6.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.31
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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]-4-(trifluoromethyl)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]-4-(trifluoromethyl)piperidine (CID 130418435) is 1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)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]-4-(trifluoromethyl)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]-4-(trifluoromethyl)piperidine is CC(OC(C)C(F)(F)C(N1CCC(C(F)(F)F)CC1)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]-4-(trifluoromethyl)piperidine?
The InChIKey is FIZPYGAUEJECFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F14NO/c1-7(12(18,19)10(17)15(25,26)27)32-8(2)13(20,21)11(16(28,29)30)31-5-3-9(4-6-31)14(22,23)24/h7-11H,3-6H2,1-2H3.
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]-4-(trifluoromethyl)piperidine?
1-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 507.31 g/mol, XLogP of 6.16, 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]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130418435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).