2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine

C8H4F13NO — CID 155217347

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine
SMILESCOC(F)(F)C(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H4F13NO/c1-23-3(10,11)2(9)22-7(18,19)5(14,15)4(12,13)6(16,17)8(22,20)21/h2H,1H3
InChIKeyILGQKPGRIUVNEI-UHFFFAOYSA-N
MW377.10 g/mol
LogP3.93
Rot. Bonds3

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine (PubChem CID 155217347) has the molecular formula C8H4F13NO and a molecular weight of 377.10 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine
PubChem CID155217347
Molecular FormulaC8H4F13NO
Molecular Weight377.10 g/mol
Exact Mass377.01
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine
SMILESCOC(F)(F)C(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H4F13NO/c1-23-3(10,11)2(9)22-7(18,19)5(14,15)4(12,13)6(16,17)8(22,20)21/h2H,1H3
InChIKeyILGQKPGRIUVNEI-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,4,4,4-Hexafluorobutyl)morpholine
CID 17997711
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)piperidine
CID 18725553
1-(1,1,2,2-Tetrafluoro-2-methoxyethyl)piperidine
CID 18725554
1-(2-Ethoxy-1,1,2,2-tetrafluoroethyl)-2,2,3,3,5,5,6,6-octafluoropiperidine
CID 18731743
2,2,3,3,5,5,6,6-Octafluoro-4-pentylmorpholine
CID 19783531
2,2,3,3,5,5,6,6-Octafluoro-4-hexylmorpholine
CID 19783537
2,2,3,3,5,5,6,6-Octafluoro-4-heptylmorpholine
CID 19783539
4-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)morpholine
CID 21692130
4-(1,1,2,2,3,3,4,4,5,5,5-Undecafluoropentyl)morpholine
CID 21692136
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1-methoxypropyl)piperidine
CID 22292469
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)morpholine
CID 54540906
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(3-methoxypropyl)piperidine
CID 57272360

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine (CID 155217347) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine is COC(F)(F)C(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine?
The InChIKey is ILGQKPGRIUVNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F13NO/c1-23-3(10,11)2(9)22-7(18,19)5(14,15)4(12,13)6(16,17)8(22,20)21/h2H,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine has a molecular weight of 377.10 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2-trifluoro-2-methoxyethyl)piperidine is sourced from PubChem (CID 155217347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).