(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine

C9H14F3NO2S — CID 101421059

IUPAC(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESC=CC[C@@]1(C)CCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2S/c1-3-5-8(2)6-4-7-13(8)16(14,15)9(10,11)12/h3H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyQGCQNJVKQFDDAR-QMMMGPOBSA-N
MW257.28 g/mol
LogP2.27
Rot. Bonds3

About (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine

(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 101421059) has the molecular formula C9H14F3NO2S and a molecular weight of 257.28 g/mol. Its IUPAC name is (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID101421059
Molecular FormulaC9H14F3NO2S
Molecular Weight257.28 g/mol
Exact Mass257.07
IUPAC Name(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESC=CC[C@@]1(C)CCCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2S/c1-3-5-8(2)6-4-7-13(8)16(14,15)9(10,11)12/h3H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyQGCQNJVKQFDDAR-QMMMGPOBSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 101421059) is (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine is C=CC[C@@]1(C)CCCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is QGCQNJVKQFDDAR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14F3NO2S/c1-3-5-8(2)6-4-7-13(8)16(14,15)9(10,11)12/h3H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine?
(2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 257.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-prop-2-enyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 101421059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).