ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate

C11H15F6NO4S — CID 58527739

IUPACethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)F)CC1
InChIInChI=1S/C11H15F6NO4S/c1-2-22-8(19)7-3-5-18(6-4-7)23(20,21)11(16,17)10(14,15)9(12)13/h7,9H,2-6H2,1H3
InChIKeyUHFZZGDSGLADRM-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.08
Rot. Bonds6

About ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate

ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate (PubChem CID 58527739) has the molecular formula C11H15F6NO4S and a molecular weight of 371.30 g/mol. Its IUPAC name is ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
PubChem CID58527739
Molecular FormulaC11H15F6NO4S
Molecular Weight371.30 g/mol
Exact Mass371.06
IUPAC Nameethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)F)CC1
InChIInChI=1S/C11H15F6NO4S/c1-2-22-8(19)7-3-5-18(6-4-7)23(20,21)11(16,17)10(14,15)9(12)13/h7,9H,2-6H2,1H3
InChIKeyUHFZZGDSGLADRM-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
Tert-butyl 4-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxylate
CID 21069255
3-[4-[3-(2,2-Dimethylbutanoyloxy)propoxycarbonyl]piperidin-1-yl]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 58364094
3-[4-[3-(2,2-Dimethylbutanoyloxy)propoxycarbonyl]piperidin-1-yl]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 58364095
Sodium 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527730
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
Sodium ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
CID 58527738
Sodium 1,1,1,3,3,3-hexafluoropropan-2-yl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
CID 58527745
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate
CID 58527746
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine-4-carboxylate
CID 58527761
Ethyl 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoate
CID 59634283

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate (CID 58527739) is ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)F)CC1.
What is the InChIKey of ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate?
The InChIKey is UHFZZGDSGLADRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO4S/c1-2-22-8(19)7-3-5-18(6-4-7)23(20,21)11(16,17)10(14,15)9(12)13/h7,9H,2-6H2,1H3.
What are the key properties of ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate?
ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate has a molecular weight of 371.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 58527739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).