1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine

C14F29N — CID 139790263

IUPAC1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine
SMILESFC(F)(F)C(F)(N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14F29N/c15-1(9(27,28)29,10(30,31)32)3(17,18)8(26,13(39,40)41)44-7(25,2(16,11(33,34)35)12(36,37)38)5(21,22)4(19,20)6(23,24)14(44,42)43
InChIKeyOJIQUIGQEDYLER-UHFFFAOYSA-N
MW733.10 g/mol
LogP9.00
Rot. Bonds4

About 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine

1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine (PubChem CID 139790263) has the molecular formula C14F29N and a molecular weight of 733.10 g/mol. Its IUPAC name is 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine.

Molecular Properties

Compound Name1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine
PubChem CID139790263
Molecular FormulaC14F29N
Molecular Weight733.10 g/mol
Exact Mass732.96
IUPAC Name1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine
SMILESFC(F)(F)C(F)(N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14F29N/c15-1(9(27,28)29,10(30,31)32)3(17,18)8(26,13(39,40)41)44-7(25,2(16,11(33,34)35)12(36,37)38)5(21,22)4(19,20)6(23,24)14(44,42)43
InChIKeyOJIQUIGQEDYLER-UHFFFAOYSA-N
XLogP9.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.10
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine with MolForge

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Related Compounds

1-(1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 121962
2,2,3,3,4,4,5,5,6-Nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
CID 87570177
perfluoro-N-(n-propyl)-3-methylpiperidine
CID 87900051
Perfluoro-p-propyl-2-methyl-piperidine
CID 129780411
Perfluoro-N-(4-methylcyclohexyl)-1-methylpiperidinium
CID 88081075
1-[1,1,2,2,3,3,4,5,5,6,6,6-Dodecafluoro-4-(trifluoromethyl)hexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 91154239
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)piperidine
CID 142661385
1-[2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 142772647
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)piperidine
CID 10283000
1,3,3,4,4,5,5-Heptafluoro-2,2,6,6-tetrakis(trifluoromethyl)piperidine
CID 10907000

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine?
The IUPAC name of 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine (CID 139790263) is 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine.
What is the SMILES notation for 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine?
The canonical SMILES for 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine is FC(F)(F)C(F)(N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine?
The InChIKey is OJIQUIGQEDYLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F29N/c15-1(9(27,28)29,10(30,31)32)3(17,18)8(26,13(39,40)41)44-7(25,2(16,11(33,34)35)12(36,37)38)5(21,22)4(19,20)6(23,24)14(44,42)43.
What are the key properties of 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine?
1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine has a molecular weight of 733.10 g/mol, XLogP of 9.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-2-yl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)piperidine is sourced from PubChem (CID 139790263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).