1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene

C16H4F10OS — CID 173382865

IUPAC1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene
SMILESO=S(C(F)=C(F)c1ccc(F)c(F)c1F)C(F)=C(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H4F10OS/c17-7-3-1-5(9(19)13(7)23)11(21)15(25)28(27)16(26)12(22)6-2-4-8(18)14(24)10(6)20/h1-4H
InChIKeyZTTMOPUUTSPVTL-UHFFFAOYSA-N
MW434.25 g/mol
LogP6.10
Rot. Bonds4

About 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene

1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene (PubChem CID 173382865) has the molecular formula C16H4F10OS and a molecular weight of 434.25 g/mol. Its IUPAC name is 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene
PubChem CID173382865
Molecular FormulaC16H4F10OS
Molecular Weight434.25 g/mol
Exact Mass433.98
IUPAC Name1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene
SMILESO=S(C(F)=C(F)c1ccc(F)c(F)c1F)C(F)=C(F)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H4F10OS/c17-7-3-1-5(9(19)13(7)23)11(21)15(25)28(27)16(26)12(22)6-2-4-8(18)14(24)10(6)20/h1-4H
InChIKeyZTTMOPUUTSPVTL-UHFFFAOYSA-N
XLogP6.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.25
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene?
The IUPAC name of 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene (CID 173382865) is 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene?
The canonical SMILES for 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene is O=S(C(F)=C(F)c1ccc(F)c(F)c1F)C(F)=C(F)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene?
The InChIKey is ZTTMOPUUTSPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H4F10OS/c17-7-3-1-5(9(19)13(7)23)11(21)15(25)28(27)16(26)12(22)6-2-4-8(18)14(24)10(6)20/h1-4H.
What are the key properties of 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene?
1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene has a molecular weight of 434.25 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,2-difluoro-2-(2,3,4-trifluorophenyl)ethenyl]sulfinyl-1,2-difluoroethenyl]-2,3,4-trifluorobenzene is sourced from PubChem (CID 173382865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).