1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine

C9H13F7N2O2S — CID 118029353

IUPAC1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(F)(F)C(F)(F)S(=O)(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H13F7N2O2S/c1-7(10,11)9(15,16)21(19,20)18-4-2-17(3-5-18)6-8(12,13)14/h2-6H2,1H3
InChIKeyYPCCNFWQOIEITF-UHFFFAOYSA-N
MW346.27 g/mol
LogP1.74
Rot. Bonds4

About 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 118029353) has the molecular formula C9H13F7N2O2S and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID118029353
Molecular FormulaC9H13F7N2O2S
Molecular Weight346.27 g/mol
Exact Mass346.06
IUPAC Name1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(F)(F)C(F)(F)S(=O)(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H13F7N2O2S/c1-7(10,11)9(15,16)21(19,20)18-4-2-17(3-5-18)6-8(12,13)14/h2-6H2,1H3
InChIKeyYPCCNFWQOIEITF-UHFFFAOYSA-N
XLogP1.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 118029353) is 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine is CC(F)(F)C(F)(F)S(=O)(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is YPCCNFWQOIEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7N2O2S/c1-7(10,11)9(15,16)21(19,20)18-4-2-17(3-5-18)6-8(12,13)14/h2-6H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 346.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoropropylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 118029353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).