4-[2-(difluoromethylsulfonyl)phenoxy]piperidine

C12H15F2NO3S — CID 62341872

IUPAC4-[2-(difluoromethylsulfonyl)phenoxy]piperidine
SMILESO=S(=O)(c1ccccc1OC1CCNCC1)C(F)F
InChIInChI=1S/C12H15F2NO3S/c13-12(14)19(16,17)11-4-2-1-3-10(11)18-9-5-7-15-8-6-9/h1-4,9,12,15H,5-8H2
InChIKeyDRSXLTJWTBQQSJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.81
Rot. Bonds4

About 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine

4-[2-(difluoromethylsulfonyl)phenoxy]piperidine (PubChem CID 62341872) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonyl)phenoxy]piperidine
PubChem CID62341872
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name4-[2-(difluoromethylsulfonyl)phenoxy]piperidine
SMILESO=S(=O)(c1ccccc1OC1CCNCC1)C(F)F
InChIInChI=1S/C12H15F2NO3S/c13-12(14)19(16,17)11-4-2-1-3-10(11)18-9-5-7-15-8-6-9/h1-4,9,12,15H,5-8H2
InChIKeyDRSXLTJWTBQQSJ-UHFFFAOYSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine?
The IUPAC name of 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine (CID 62341872) is 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine.
What is the SMILES notation for 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine?
The canonical SMILES for 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine is O=S(=O)(c1ccccc1OC1CCNCC1)C(F)F.
What is the InChIKey of 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine?
The InChIKey is DRSXLTJWTBQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-12(14)19(16,17)11-4-2-1-3-10(11)18-9-5-7-15-8-6-9/h1-4,9,12,15H,5-8H2.
What are the key properties of 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine?
4-[2-(difluoromethylsulfonyl)phenoxy]piperidine has a molecular weight of 291.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonyl)phenoxy]piperidine is sourced from PubChem (CID 62341872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).