4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride

C7H13F2NO2S — CID 135564423

IUPAC4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(CCF)CC1
InChIInChI=1S/C7H13F2NO2S/c8-4-1-7-2-5-10(6-3-7)13(9,11)12/h7H,1-6H2
InChIKeySZTTYHATFUEBKA-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.27
Rot. Bonds3

About 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride

4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride (PubChem CID 135564423) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride
PubChem CID135564423
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCC(CCF)CC1
InChIInChI=1S/C7H13F2NO2S/c8-4-1-7-2-5-10(6-3-7)13(9,11)12/h7H,1-6H2
InChIKeySZTTYHATFUEBKA-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 65535206
4-(Trifluoromethyl)piperidine-1-sulfonamide
CID 58349803
4-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 59862807
3-(Trifluoromethyl)piperidine-1-sulfinate
CID 71259892
4-(Trifluoromethyl)piperidine-1-sulfinate
CID 122647034
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127364964
3-Fluoro-4-methylpiperidine-1-sulfonamide
CID 129075058
3-(Trifluoromethyl)piperidine-1-sulfonamide
CID 45807696
4-Methylpiperidine-1-sulfonyl fluoride
CID 56965516
3-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 65535205
(3R)-3-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 98868740
(3S)-3-(Trifluoromethyl)piperidine-1-sulfonyl chloride
CID 98868741

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride?
The IUPAC name of 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride (CID 135564423) is 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride is O=S(=O)(F)N1CCC(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride?
The InChIKey is SZTTYHATFUEBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c8-4-1-7-2-5-10(6-3-7)13(9,11)12/h7H,1-6H2.
What are the key properties of 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride?
4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride has a molecular weight of 213.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)piperidine-1-sulfonyl fluoride is sourced from PubChem (CID 135564423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).