(3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

C6H10F3NO2S — CID 86276441

IUPAC(3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESC[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO2S/c1-5-2-3-10(4-5)13(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyRXKFYMAUPOMZNX-RXMQYKEDSA-N
MW217.21 g/mol
LogP1.18
Rot. Bonds1

About (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine

(3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 86276441) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID86276441
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name(3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESC[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO2S/c1-5-2-3-10(4-5)13(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyRXKFYMAUPOMZNX-RXMQYKEDSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 86276441) is (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is C[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is RXKFYMAUPOMZNX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-5-2-3-10(4-5)13(11,12)6(7,8)9/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 217.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 86276441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).