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

C13F25N — CID 10283000

IUPAC1-[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
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C13F25N/c14-1(10(29,30)31)3(16,17)7(24,25)9(28,8(26,27)4(1,18)19)39-12(35,36)5(20,21)2(15,11(32,33)34)6(22,23)13(39,37)38
InChIKeyDKBZKTKZZHHJOZ-UHFFFAOYSA-N
MW645.10 g/mol
LogP7.52
Rot. Bonds1

About 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

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 (PubChem CID 10283000) has the molecular formula C13F25N and a molecular weight of 645.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID10283000
Molecular FormulaC13F25N
Molecular Weight645.10 g/mol
Exact Mass644.96
IUPAC Name1-[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
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C13F25N/c14-1(10(29,30)31)3(16,17)7(24,25)9(28,8(26,27)4(1,18)19)39-12(35,36)5(20,21)2(15,11(32,33)34)6(22,23)13(39,37)38
InChIKeyDKBZKTKZZHHJOZ-UHFFFAOYSA-N
XLogP7.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.10
LogP ≤ 57.52
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-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)piperidine 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
Perfluoromethylpropyl-(4-methylcyclohexyl)amine
CID 10231983
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
perfluorodiethyl-N-(4-methylcyclohexyl)amine
CID 14225133
Perfluoro-p-propyl-2-methyl-piperidine
CID 129780411
Perfluoromethylbutyl-(4-methylcyclohexyl)-amine
CID 87984083
Perfluoro-N-(4-methylcyclohexyl)-1-methylpiperidinium
CID 88081075
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
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-[2,2,3,3,4,5,5,6,6-nonafluoro-1,4-bis(trifluoromethyl)cyclohexyl]piperidine
CID 141517476
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C1(F)C(F)(F)C(F)(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 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?
The InChIKey is DKBZKTKZZHHJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F25N/c14-1(10(29,30)31)3(16,17)7(24,25)9(28,8(26,27)4(1,18)19)39-12(35,36)5(20,21)2(15,11(32,33)34)6(22,23)13(39,37)38.
What are the key properties of 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?
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 has a molecular weight of 645.10 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10283000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).