1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine

C9H15F4NO2S — CID 126638201

IUPAC1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine
SMILESO=S(=O)(CCC(F)(F)C(F)F)N1CCCCC1
InChIInChI=1S/C9H15F4NO2S/c10-8(11)9(12,13)4-7-17(15,16)14-5-2-1-3-6-14/h8H,1-7H2
InChIKeyAZBGWPOKPINXQI-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.09
Rot. Bonds5

About 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine

1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine (PubChem CID 126638201) has the molecular formula C9H15F4NO2S and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine
PubChem CID126638201
Molecular FormulaC9H15F4NO2S
Molecular Weight277.28 g/mol
Exact Mass277.08
IUPAC Name1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine
SMILESO=S(=O)(CCC(F)(F)C(F)F)N1CCCCC1
InChIInChI=1S/C9H15F4NO2S/c10-8(11)9(12,13)4-7-17(15,16)14-5-2-1-3-6-14/h8H,1-7H2
InChIKeyAZBGWPOKPINXQI-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((Trifluoromethyl)sulfonyl)piperidine
CID 11085234
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
2-Ethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 57545274
1-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 57981554
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57981555
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethyl)propane-1-sulfonamide
CID 58031149
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58051951
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine?
The IUPAC name of 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine (CID 126638201) is 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine.
What is the SMILES notation for 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine?
The canonical SMILES for 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine is O=S(=O)(CCC(F)(F)C(F)F)N1CCCCC1.
What is the InChIKey of 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine?
The InChIKey is AZBGWPOKPINXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2S/c10-8(11)9(12,13)4-7-17(15,16)14-5-2-1-3-6-14/h8H,1-7H2.
What are the key properties of 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine?
1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine has a molecular weight of 277.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4-tetrafluorobutylsulfonyl)piperidine is sourced from PubChem (CID 126638201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).