(E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide

C17H5F10NO2S — CID 11612636

IUPAC(E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide
SMILESO=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)NS(=O)/C=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H5F10NO2S/c18-8-5(9(19)13(23)16(26)12(8)22)1-2-7(29)28-31(30)4-3-6-10(20)14(24)17(27)15(25)11(6)21/h1-4H,(H,28,29)/b2-1+,4-3+
InChIKeyCVZPJTDGGUOIQN-MVJNYCIBSA-N
MW477.28 g/mol
LogP4.54
Rot. Bonds5

About (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide

(E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide (PubChem CID 11612636) has the molecular formula C17H5F10NO2S and a molecular weight of 477.28 g/mol. Its IUPAC name is (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide
PubChem CID11612636
Molecular FormulaC17H5F10NO2S
Molecular Weight477.28 g/mol
Exact Mass476.99
IUPAC Name(E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide
SMILESO=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)NS(=O)/C=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H5F10NO2S/c18-8-5(9(19)13(23)16(26)12(8)22)1-2-7(29)28-31(30)4-3-6-10(20)14(24)17(27)15(25)11(6)21/h1-4H,(H,28,29)/b2-1+,4-3+
InChIKeyCVZPJTDGGUOIQN-MVJNYCIBSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide?
The IUPAC name of (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide (CID 11612636) is (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide?
The canonical SMILES for (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide is O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)NS(=O)/C=C/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide?
The InChIKey is CVZPJTDGGUOIQN-MVJNYCIBSA-N. The full InChI is InChI=1S/C17H5F10NO2S/c18-8-5(9(19)13(23)16(26)12(8)22)1-2-7(29)28-31(30)4-3-6-10(20)14(24)17(27)15(25)11(6)21/h1-4H,(H,28,29)/b2-1+,4-3+.
What are the key properties of (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide?
(E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide has a molecular weight of 477.28 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3,4,5,6-pentafluorophenyl)-N-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]sulfinylprop-2-enamide is sourced from PubChem (CID 11612636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).