2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine

C11H19ClF3NO2S — CID 83058249

IUPAC2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1CCCCl
InChIInChI=1S/C11H19ClF3NO2S/c12-7-1-4-10-5-2-8-16(10)19(17,18)9-3-6-11(13,14)15/h10H,1-9H2
InChIKeyNZPUUBWFRWLZDM-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.14
Rot. Bonds7

About 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine

2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine (PubChem CID 83058249) has the molecular formula C11H19ClF3NO2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
PubChem CID83058249
Molecular FormulaC11H19ClF3NO2S
Molecular Weight321.79 g/mol
Exact Mass321.08
IUPAC Name2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC1CCCCl
InChIInChI=1S/C11H19ClF3NO2S/c12-7-1-4-10-5-2-8-16(10)19(17,18)9-3-6-11(13,14)15/h10H,1-9H2
InChIKeyNZPUUBWFRWLZDM-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)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-(3-chlorobutanesulfonyl)-2-methylpyrrolidine
CID 13468222
2-(Chloromethyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63397740
2-(3-Chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
3-Chloro-8-(4,4,4-trifluorobutylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 83058397
N-(2-chloroethyl)-N-cyclopentyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058664
2-(Chloromethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83058938
2-(2-Chloroethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83059428
2-(Chloromethyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 83059866
2-(Chloromethyl)-3-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 102788545
2-(2-Chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 112748598
3-(2-Chloroethyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine
CID 114801864
2-(Chloromethyl)-1-(4,4,4-trifluorobutylsulfonyl)azepane
CID 116639802

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine (CID 83058249) is 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine is O=S(=O)(CCCC(F)(F)F)N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
The InChIKey is NZPUUBWFRWLZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2S/c12-7-1-4-10-5-2-8-16(10)19(17,18)9-3-6-11(13,14)15/h10H,1-9H2.
What are the key properties of 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine?
2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine has a molecular weight of 321.79 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine is sourced from PubChem (CID 83058249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).