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

C10H20FNO2S — CID 171582021

IUPAC4-tert-butyl-1-(fluoromethylsulfonyl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)CF)CC1
InChIInChI=1S/C10H20FNO2S/c1-10(2,3)9-4-6-12(7-5-9)15(13,14)8-11/h9H,4-8H2,1-3H3
InChIKeyKRPZTZUHUBCNPJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.00
Rot. Bonds2

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

4-tert-butyl-1-(fluoromethylsulfonyl)piperidine (PubChem CID 171582021) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(fluoromethylsulfonyl)piperidine
PubChem CID171582021
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name4-tert-butyl-1-(fluoromethylsulfonyl)piperidine
SMILESCC(C)(C)C1CCN(S(=O)(=O)CF)CC1
InChIInChI=1S/C10H20FNO2S/c1-10(2,3)9-4-6-12(7-5-9)15(13,14)8-11/h9H,4-8H2,1-3H3
InChIKeyKRPZTZUHUBCNPJ-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.00
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-(fluoromethylsulfonyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine (CID 171582021) is 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine is CC(C)(C)C1CCN(S(=O)(=O)CF)CC1.
What is the InChIKey of 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine?
The InChIKey is KRPZTZUHUBCNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-10(2,3)9-4-6-12(7-5-9)15(13,14)8-11/h9H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine?
4-tert-butyl-1-(fluoromethylsulfonyl)piperidine has a molecular weight of 237.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(fluoromethylsulfonyl)piperidine is sourced from PubChem (CID 171582021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).