3-chloro-1-(difluoromethylsulfonyl)piperidine

C6H10ClF2NO2S — CID 63397426

IUPAC3-chloro-1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCC(Cl)C1
InChIInChI=1S/C6H10ClF2NO2S/c7-5-2-1-3-10(4-5)13(11,12)6(8)9/h5-6H,1-4H2
InChIKeyYGIDNQUFAFDOCR-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.24
Rot. Bonds2

About 3-chloro-1-(difluoromethylsulfonyl)piperidine

3-chloro-1-(difluoromethylsulfonyl)piperidine (PubChem CID 63397426) has the molecular formula C6H10ClF2NO2S and a molecular weight of 233.67 g/mol. Its IUPAC name is 3-chloro-1-(difluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(difluoromethylsulfonyl)piperidine
PubChem CID63397426
Molecular FormulaC6H10ClF2NO2S
Molecular Weight233.67 g/mol
Exact Mass233.01
IUPAC Name3-chloro-1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCC(Cl)C1
InChIInChI=1S/C6H10ClF2NO2S/c7-5-2-1-3-10(4-5)13(11,12)6(8)9/h5-6H,1-4H2
InChIKeyYGIDNQUFAFDOCR-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(difluoromethylsulfonyl)piperidine?
The IUPAC name of 3-chloro-1-(difluoromethylsulfonyl)piperidine (CID 63397426) is 3-chloro-1-(difluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3-chloro-1-(difluoromethylsulfonyl)piperidine?
The canonical SMILES for 3-chloro-1-(difluoromethylsulfonyl)piperidine is O=S(=O)(C(F)F)N1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(difluoromethylsulfonyl)piperidine?
The InChIKey is YGIDNQUFAFDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2S/c7-5-2-1-3-10(4-5)13(11,12)6(8)9/h5-6H,1-4H2.
What are the key properties of 3-chloro-1-(difluoromethylsulfonyl)piperidine?
3-chloro-1-(difluoromethylsulfonyl)piperidine has a molecular weight of 233.67 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(difluoromethylsulfonyl)piperidine is sourced from PubChem (CID 63397426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).