molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine

C9H18F3NO2S — CID 144798195

IUPACmolecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CC[C@H]1CCCN1)CCC(F)(F)F.[H][H]
InChIInChI=1S/C9H16F3NO2S.H2/c10-9(11,12)4-7-16(14,15)6-3-8-2-1-5-13-8;/h8,13H,1-7H2;1H/t8-;/m1./s1
InChIKeyDUBQGGUQFOHUTD-DDWIOCJRSA-N
MW261.31 g/mol
LogP1.74
Rot. Bonds5

About molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine

molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine (PubChem CID 144798195) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine.

Molecular Properties

Compound Namemolecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine
PubChem CID144798195
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC Namemolecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CC[C@H]1CCCN1)CCC(F)(F)F.[H][H]
InChIInChI=1S/C9H16F3NO2S.H2/c10-9(11,12)4-7-16(14,15)6-3-8-2-1-5-13-8;/h8,13H,1-7H2;1H/t8-;/m1./s1
InChIKeyDUBQGGUQFOHUTD-DDWIOCJRSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine?
The IUPAC name of molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine (CID 144798195) is molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine.
What is the SMILES notation for molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine?
The canonical SMILES for molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine is O=S(=O)(CC[C@H]1CCCN1)CCC(F)(F)F.[H][H].
What is the InChIKey of molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine?
The InChIKey is DUBQGGUQFOHUTD-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H16F3NO2S.H2/c10-9(11,12)4-7-16(14,15)6-3-8-2-1-5-13-8;/h8,13H,1-7H2;1H/t8-;/m1./s1.
What are the key properties of molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine?
molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine has a molecular weight of 261.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2R)-2-[2-(3,3,3-trifluoropropylsulfonyl)ethyl]pyrrolidine is sourced from PubChem (CID 144798195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).