sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone

C15H17Cl2F3N2O3S — CID 174240121

IUPACsulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(C2(c3ccccc3)CC2)CC1)C(F)(F)F.O=S(=O)(Cl)Cl
InChIInChI=1S/C15H17F3N2O.Cl2O2S/c16-15(17,18)13(21)19-8-10-20(11-9-19)14(6-7-14)12-4-2-1-3-5-12;1-5(2,3)4/h1-5H,6-11H2;
InChIKeyBPVODCKKLALGLO-UHFFFAOYSA-N
MW433.28 g/mol
LogP3.09
Rot. Bonds2

About sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone

sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone (PubChem CID 174240121) has the molecular formula C15H17Cl2F3N2O3S and a molecular weight of 433.28 g/mol. Its IUPAC name is sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Namesulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone
PubChem CID174240121
Molecular FormulaC15H17Cl2F3N2O3S
Molecular Weight433.28 g/mol
Exact Mass432.03
IUPAC Namesulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN(C2(c3ccccc3)CC2)CC1)C(F)(F)F.O=S(=O)(Cl)Cl
InChIInChI=1S/C15H17F3N2O.Cl2O2S/c16-15(17,18)13(21)19-8-10-20(11-9-19)14(6-7-14)12-4-2-1-3-5-12;1-5(2,3)4/h1-5H,6-11H2;
InChIKeyBPVODCKKLALGLO-UHFFFAOYSA-N
XLogP3.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone?
The IUPAC name of sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone (CID 174240121) is sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone?
The canonical SMILES for sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone is O=C(N1CCN(C2(c3ccccc3)CC2)CC1)C(F)(F)F.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone?
The InChIKey is BPVODCKKLALGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O.Cl2O2S/c16-15(17,18)13(21)19-8-10-20(11-9-19)14(6-7-14)12-4-2-1-3-5-12;1-5(2,3)4/h1-5H,6-11H2;.
What are the key properties of sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone?
sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone has a molecular weight of 433.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;2,2,2-trifluoro-1-[4-(1-phenylcyclopropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 174240121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).