3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine

C10H18F3NO2S — CID 143480644

IUPAC3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
SMILESCC(C)C1CCN(S(=O)(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-8(2)9-3-5-14(7-9)17(15,16)6-4-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyWZXUXEQEYWLPGP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.25
Rot. Bonds4

About 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine

3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine (PubChem CID 143480644) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
PubChem CID143480644
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine
SMILESCC(C)C1CCN(S(=O)(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-8(2)9-3-5-14(7-9)17(15,16)6-4-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyWZXUXEQEYWLPGP-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
The IUPAC name of 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine (CID 143480644) is 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine.
What is the SMILES notation for 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
The canonical SMILES for 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine is CC(C)C1CCN(S(=O)(=O)CCC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
The InChIKey is WZXUXEQEYWLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-8(2)9-3-5-14(7-9)17(15,16)6-4-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine?
3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine has a molecular weight of 273.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidine is sourced from PubChem (CID 143480644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).