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

C12F25N — CID 91154239

IUPAC1-[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
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F25N/c13-1(8(26,27)28,3(16,17)9(29,30)31)2(14,15)5(20,21)10(32,33)38-11(34,35)6(22,23)4(18,19)7(24,25)12(38,36)37
InChIKeyWZTJNKULHIODJA-UHFFFAOYSA-N
MW633.09 g/mol
LogP7.73
Rot. Bonds5

About 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

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 (PubChem CID 91154239) has the molecular formula C12F25N and a molecular weight of 633.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID91154239
Molecular FormulaC12F25N
Molecular Weight633.09 g/mol
Exact Mass632.96
IUPAC Name1-[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
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F25N/c13-1(8(26,27)28,3(16,17)9(29,30)31)2(14,15)5(20,21)10(32,33)38-11(34,35)6(22,23)4(18,19)7(24,25)12(38,36)37
InChIKeyWZTJNKULHIODJA-UHFFFAOYSA-N
XLogP7.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.09
LogP ≤ 57.73
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-[1,1,2,2,3,3,4,5,5,6,6,6-dodecafluoro-4-(trifluoromethyl)hexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine with MolForge

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Related Compounds

perfluoro-N-(n-propyl)-3-methylpiperidine
CID 87900051
Perfluoro-p-propyl-2-methyl-piperidine
CID 129780411
2,2,3,3,4,4,5,6,6-Nonafluoro-1,5-bis(trifluoromethyl)piperidine
CID 14595605
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)piperidine
CID 14292003
2,2,3,3,4,5,5,6,6-Nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)piperidine
CID 23160651
2,2,3,3,4,5,5,6,6-Nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine
CID 130266779
2,2,3,3,4,5,5,6,6-Nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine
CID 130266783
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
2,2,3,3,4,5,5,6,6-Nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
CID 142761520
1-[Difluoro-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 177721122

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 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?
The InChIKey is WZTJNKULHIODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F25N/c13-1(8(26,27)28,3(16,17)9(29,30)31)2(14,15)5(20,21)10(32,33)38-11(34,35)6(22,23)4(18,19)7(24,25)12(38,36)37.
What are the key properties of 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?
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 has a molecular weight of 633.09 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91154239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).