2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine

C8H14ClF2NO2S — CID 63400433

IUPAC2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(C(F)F)N1CCCC1CCCCl
InChIInChI=1S/C8H14ClF2NO2S/c9-5-1-3-7-4-2-6-12(7)15(13,14)8(10)11/h7-8H,1-6H2
InChIKeyWGQNSUSSTOTJSF-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.02
Rot. Bonds5

About 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine

2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine (PubChem CID 63400433) has the molecular formula C8H14ClF2NO2S and a molecular weight of 261.72 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
PubChem CID63400433
Molecular FormulaC8H14ClF2NO2S
Molecular Weight261.72 g/mol
Exact Mass261.04
IUPAC Name2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(C(F)F)N1CCCC1CCCCl
InChIInChI=1S/C8H14ClF2NO2S/c9-5-1-3-7-4-2-6-12(7)15(13,14)8(10)11/h7-8H,1-6H2
InChIKeyWGQNSUSSTOTJSF-UHFFFAOYSA-N
XLogP2.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
CID 63400986
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
CID 63400591
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
CID 63400724
2-(3-chloropropyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 63400723
4-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-1-ethyl-2-methylimidazole
CID 63400810
(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 28606646
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine (CID 63400433) is 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine is O=S(=O)(C(F)F)N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine?
The InChIKey is WGQNSUSSTOTJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2S/c9-5-1-3-7-4-2-6-12(7)15(13,14)8(10)11/h7-8H,1-6H2.
What are the key properties of 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine?
2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine has a molecular weight of 261.72 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 63400433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).