1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine

C7H12F3NO2S — CID 90460183

IUPAC1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)3-6-14(12,13)11-4-1-2-5-11/h1-6H2
InChIKeyXSPRUMPTTYZSHR-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.36
Rot. Bonds3

About 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine

1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine (PubChem CID 90460183) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
PubChem CID90460183
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
SMILESO=S(=O)(CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)3-6-14(12,13)11-4-1-2-5-11/h1-6H2
InChIKeyXSPRUMPTTYZSHR-UHFFFAOYSA-N
XLogP1.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Trifluoromethyl)sulfonyl]pyrrolidine
CID 53837543
1-Propylsulfonylpyrrolidine
CID 303057
1-(Difluoroiodomethylsulfonyl)pyrrolidine
CID 129823490
2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanesulfonamide
CID 137956257
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700
1-(1,1-Difluoroethylsulfonyl)pyrrolidine
CID 58122743
1-(Difluoromethylsulfonyl)pyrrolidine
CID 58435998
3,3-Difluoro-1-(vinylsulfonyl)pyrrolidine
CID 58557782
2-(3-Fluoropyrrolidin-1-yl)ethanesulfinate
CID 68950867
Trifluoromethylsulfonyl 4-pyrrolidin-1-ylbutane-1-sulfonate
CID 87601202
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)pyrrolidine
CID 88916710
1-(1,1,2,2,3,3,4,4-Octafluoropentylsulfonyl)pyrrolidine
CID 88916714

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
The IUPAC name of 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine (CID 90460183) is 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine is O=S(=O)(CCC(F)(F)F)N1CCCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
The InChIKey is XSPRUMPTTYZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)3-6-14(12,13)11-4-1-2-5-11/h1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine has a molecular weight of 231.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine is sourced from PubChem (CID 90460183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).