2-(4-fluoropiperidin-1-yl)ethanesulfinate

C7H13FNO2S- — CID 68950733

IUPAC2-(4-fluoropiperidin-1-yl)ethanesulfinate
SMILESO=S([O-])CCN1CCC(F)CC1
InChIInChI=1S/C7H14FNO2S/c8-7-1-3-9(4-2-7)5-6-12(10)11/h7H,1-6H2,(H,10,11)/p-1
InChIKeyQLZNYADXJHXQQI-UHFFFAOYSA-M
MW194.25 g/mol
LogP0.30
Rot. Bonds3

About 2-(4-fluoropiperidin-1-yl)ethanesulfinate

2-(4-fluoropiperidin-1-yl)ethanesulfinate (PubChem CID 68950733) has the molecular formula C7H13FNO2S- and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)ethanesulfinate.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)ethanesulfinate
PubChem CID68950733
Molecular FormulaC7H13FNO2S-
Molecular Weight194.25 g/mol
Exact Mass194.07
IUPAC Name2-(4-fluoropiperidin-1-yl)ethanesulfinate
SMILESO=S([O-])CCN1CCC(F)CC1
InChIInChI=1S/C7H14FNO2S/c8-7-1-3-9(4-2-7)5-6-12(10)11/h7H,1-6H2,(H,10,11)/p-1
InChIKeyQLZNYADXJHXQQI-UHFFFAOYSA-M
XLogP0.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-(2-Fluoroethyl)piperidine-3-sulfonamide hydrochloride
CID 132300888
2-(Piperidin-1-yl)ethane-1-sulfonyl chloride hydrochloride
CID 165947110
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
1-(2,2-Difluoroethylsulfonyl)piperidine
CID 58436043
1-(4-Fluoropiperidin-1-yl)ethanesulfinate
CID 68951286
1-(1-Fluoroethylsulfonyl)piperidine
CID 89229763
1-(2-Fluoroethyl)piperidine-4-sulfinate
CID 89881606
1-(2-Fluoroethyl)piperidine-4-sulfinic acid
CID 89881607
1-(2,2,2-Trifluoroethyl)piperidine-4-sulfinate
CID 89881705
1-(2,2,2-Trifluoroethyl)piperidine-4-sulfonamide
CID 114999463

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-1-yl)ethanesulfinate?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)ethanesulfinate (CID 68950733) is 2-(4-fluoropiperidin-1-yl)ethanesulfinate.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)ethanesulfinate?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)ethanesulfinate is O=S([O-])CCN1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)ethanesulfinate?
The InChIKey is QLZNYADXJHXQQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14FNO2S/c8-7-1-3-9(4-2-7)5-6-12(10)11/h7H,1-6H2,(H,10,11)/p-1.
What are the key properties of 2-(4-fluoropiperidin-1-yl)ethanesulfinate?
2-(4-fluoropiperidin-1-yl)ethanesulfinate has a molecular weight of 194.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)ethanesulfinate is sourced from PubChem (CID 68950733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).