(3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

C8H14F3NO2S — CID 86276444

IUPAC(3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCC[C@H]1CN(S(=O)(=O)C(F)(F)F)C[C@@H]1C
InChIInChI=1S/C8H14F3NO2S/c1-3-7-5-12(4-6(7)2)15(13,14)8(9,10)11/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyGRWJZXPNMPHKRN-BQBZGAKWSA-N
MW245.27 g/mol
LogP1.81
Rot. Bonds2

About (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

(3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276444) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276444
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name(3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCC[C@H]1CN(S(=O)(=O)C(F)(F)F)C[C@@H]1C
InChIInChI=1S/C8H14F3NO2S/c1-3-7-5-12(4-6(7)2)15(13,14)8(9,10)11/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyGRWJZXPNMPHKRN-BQBZGAKWSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-(trifluoromethyl)sulfonyl-pyrrolidine
CID 68090720
(S)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276436
(S)-3-ethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276437
(R)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276441
(3R,4R)-3,4-dimethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276442
(R)-3-isopropyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276443
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
3,4-Di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
CID 121339923

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276444) is (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is CC[C@H]1CN(S(=O)(=O)C(F)(F)F)C[C@@H]1C.
What is the InChIKey of (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is GRWJZXPNMPHKRN-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-3-7-5-12(4-6(7)2)15(13,14)8(9,10)11/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 245.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-4-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).