2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine

C8H14ClF2NO2S — CID 63397257

IUPAC2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCCC1CCCl
InChIInChI=1S/C8H14ClF2NO2S/c9-5-4-7-3-1-2-6-12(7)15(13,14)8(10)11/h7-8H,1-6H2
InChIKeyYMYUSEWBNQGXOM-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine

2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine (PubChem CID 63397257) has the molecular formula C8H14ClF2NO2S and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine
PubChem CID63397257
Molecular FormulaC8H14ClF2NO2S
Molecular Weight261.72 g/mol
Exact Mass261.04
IUPAC Name2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCCC1CCCl
InChIInChI=1S/C8H14ClF2NO2S/c9-5-4-7-3-1-2-6-12(7)15(13,14)8(10)11/h7-8H,1-6H2
InChIKeyYMYUSEWBNQGXOM-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.02
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 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine (CID 63397257) is 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine is O=S(=O)(C(F)F)N1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine?
The InChIKey is YMYUSEWBNQGXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2S/c9-5-4-7-3-1-2-6-12(7)15(13,14)8(10)11/h7-8H,1-6H2.
What are the key properties of 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine?
2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine has a molecular weight of 261.72 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(difluoromethylsulfonyl)piperidine is sourced from PubChem (CID 63397257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).