2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine

C6H10ClF2NO2S — CID 63397740

IUPAC2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(C(F)F)N1CCCC1CCl
InChIInChI=1S/C6H10ClF2NO2S/c7-4-5-2-1-3-10(5)13(11,12)6(8)9/h5-6H,1-4H2
InChIKeyYLJKAJYYLJZHIB-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.24
Rot. Bonds3

About 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine

2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine (PubChem CID 63397740) has the molecular formula C6H10ClF2NO2S and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine
PubChem CID63397740
Molecular FormulaC6H10ClF2NO2S
Molecular Weight233.67 g/mol
Exact Mass233.01
IUPAC Name2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(C(F)F)N1CCCC1CCl
InChIInChI=1S/C6H10ClF2NO2S/c7-4-5-2-1-3-10(5)13(11,12)6(8)9/h5-6H,1-4H2
InChIKeyYLJKAJYYLJZHIB-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine 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

N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
2-(Chloromethyl)-1-(difluoromethylsulfonyl)piperidine
CID 63396913
2-(3-Chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
3-Chloro-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400741
2-(3-Chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 83058249
2-(Chloromethyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 83059866
2-(Chloromethyl)-1-(difluoromethylsulfonyl)-3-methylpyrrolidine
CID 102788524
3-(2-Chloroethyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 114801860
3-Chloro-1-(difluoromethylsulfonyl)-4-ethylpyrrolidine
CID 130825996
4-Chloro-2-methyl-1-(2,2,2-trifluoroethanesulfonyl)pyrrolidine
CID 164661002
1-Chloromethanesulfonyl-2-(trifluoromethyl)pyrrolidine
CID 165496338
2-(Chloromethyl)-5-methyl-1-methylsulfonylpyrrolidine
CID 59877324

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine (CID 63397740) is 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine is O=S(=O)(C(F)F)N1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine?
The InChIKey is YLJKAJYYLJZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2S/c7-4-5-2-1-3-10(5)13(11,12)6(8)9/h5-6H,1-4H2.
What are the key properties of 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine?
2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine has a molecular weight of 233.67 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 63397740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).