4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine

C11H20F3NO2S — CID 177300390

IUPAC4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
SMILESCC(C)C1CCN(S(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-9(2)10-3-6-15(7-4-10)18(16,17)8-5-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyITZQQOGSYNFXAK-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.64
Rot. Bonds4

About 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine

4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine (PubChem CID 177300390) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
PubChem CID177300390
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
SMILESCC(C)C1CCN(S(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2S/c1-9(2)10-3-6-15(7-4-10)18(16,17)8-5-11(12,13)14/h9-10H,3-8H2,1-2H3
InChIKeyITZQQOGSYNFXAK-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
The IUPAC name of 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine (CID 177300390) is 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine.
What is the SMILES notation for 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
The canonical SMILES for 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine is CC(C)C1CCN(S(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
The InChIKey is ITZQQOGSYNFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-9(2)10-3-6-15(7-4-10)18(16,17)8-5-11(12,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine?
4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine has a molecular weight of 287.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(3,3,3-trifluoropropylsulfonyl)piperidine is sourced from PubChem (CID 177300390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).