2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

C10H18F3NO2S — CID 163478786

IUPAC2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCCCC1CCC(C)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-3-4-5-9-7-6-8(2)14(9)17(15,16)10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyCCTIBYCHJOTATQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.88
Rot. Bonds4

About 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 163478786) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID163478786
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCCCC1CCC(C)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-3-4-5-9-7-6-8(2)14(9)17(15,16)10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyCCTIBYCHJOTATQ-UHFFFAOYSA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 54613093
1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
(2R,3R)-2,3-dipropyl-1-(trifluoromethylsulfonyl)aziridine
CID 56641582
(S)-2-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276438
(S)-2-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276439
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
(2S,3R)-2,3-dipropyl-1-(trifluoromethylsulfonyl)aziridine
CID 102306726
(2S)-2-octyl-1-(trifluoromethylsulfonyl)aziridine
CID 177854972
1-Methyl-1-octylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 87256814
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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 163478786) is 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is CCCCC1CCC(C)N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is CCTIBYCHJOTATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-3-4-5-9-7-6-8(2)14(9)17(15,16)10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 273.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 163478786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).