(2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine

C8H14F3NO2S — CID 86276439

IUPAC(2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCC[C@H]1CCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-2-4-7-5-3-6-12(7)15(13,14)8(9,10)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyRVSTZWVOFHZJOR-ZETCQYMHSA-N
MW245.27 g/mol
LogP2.10
Rot. Bonds3

About (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine

(2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276439) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276439
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name(2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCC[C@H]1CCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2S/c1-2-4-7-5-3-6-12(7)15(13,14)8(9,10)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyRVSTZWVOFHZJOR-ZETCQYMHSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
(S)-2-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276438
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
1-Methyl-1-octylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 87256814
Fluoro difluoro-(2-methylpyrrolidin-1-yl)methanesulfonate
CID 87457547
1-Hexyl-1-methylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 87580427
1-Methylsulfonyl-2-(trifluoromethyl)pyrrolidine
CID 117718438
1-Methylsulfonyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 129248399
1-Methyl-1-octan-4-ylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 158703052
1-Ethyl-1-octylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 160211038
Bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methyl-2-propylpyrrolidin-1-ium
CID 160229377
1-Butyl-1-hexylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 161186287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276439) is (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine is CCC[C@H]1CCCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is RVSTZWVOFHZJOR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-2-4-7-5-3-6-12(7)15(13,14)8(9,10)11/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 245.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).