4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine

C10H18F3NO2S — CID 58394662

IUPAC4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-9(2,3)8-4-6-14(7-5-8)17(15,16)10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyVCGYOYHYDWYEMM-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.59
Rot. Bonds1

About 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine

4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 58394662) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID58394662
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2S/c1-9(2,3)8-4-6-14(7-5-8)17(15,16)10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyVCGYOYHYDWYEMM-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine (CID 58394662) is 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine is CC(C)(C)C1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is VCGYOYHYDWYEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-9(2,3)8-4-6-14(7-5-8)17(15,16)10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine?
4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 273.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 58394662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).