1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine

C10H21FN2O2S — CID 154593857

IUPAC1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)CCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-10(2,3)12-5-7-13(8-6-12)16(14,15)9-4-11/h4-9H2,1-3H3
InChIKeyDMRDZRDTNSUMIM-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.70
Rot. Bonds3

About 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine

1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine (PubChem CID 154593857) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine
PubChem CID154593857
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC Name1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine
SMILESCC(C)(C)N1CCN(S(=O)(=O)CCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-10(2,3)12-5-7-13(8-6-12)16(14,15)9-4-11/h4-9H2,1-3H3
InChIKeyDMRDZRDTNSUMIM-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine (CID 154593857) is 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine is CC(C)(C)N1CCN(S(=O)(=O)CCF)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine?
The InChIKey is DMRDZRDTNSUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-10(2,3)12-5-7-13(8-6-12)16(14,15)9-4-11/h4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine?
1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine has a molecular weight of 252.35 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-fluoroethylsulfonyl)piperazine is sourced from PubChem (CID 154593857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).