(Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine

C17H20FNS — CID 143743495

IUPAC(Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
SMILESC=Cc1ccccc1/C(=N/C(C)(C)F)C(=C)S/C=C\C
InChIInChI=1S/C17H20FNS/c1-6-12-20-13(3)16(19-17(4,5)18)15-11-9-8-10-14(15)7-2/h6-12H,2-3H2,1,4-5H3/b12-6-,19-16+
InChIKeySINXLJNDXMNBDE-AGHGFTHFSA-N
MW289.42 g/mol
LogP5.60
Rot. Bonds6

About (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine

(Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine (PubChem CID 143743495) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
PubChem CID143743495
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name(Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine
SMILESC=Cc1ccccc1/C(=N/C(C)(C)F)C(=C)S/C=C\C
InChIInChI=1S/C17H20FNS/c1-6-12-20-13(3)16(19-17(4,5)18)15-11-9-8-10-14(15)7-2/h6-12H,2-3H2,1,4-5H3/b12-6-,19-16+
InChIKeySINXLJNDXMNBDE-AGHGFTHFSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
The IUPAC name of (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine (CID 143743495) is (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine.
What is the SMILES notation for (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
The canonical SMILES for (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine is C=Cc1ccccc1/C(=N/C(C)(C)F)C(=C)S/C=C\C.
What is the InChIKey of (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
The InChIKey is SINXLJNDXMNBDE-AGHGFTHFSA-N. The full InChI is InChI=1S/C17H20FNS/c1-6-12-20-13(3)16(19-17(4,5)18)15-11-9-8-10-14(15)7-2/h6-12H,2-3H2,1,4-5H3/b12-6-,19-16+.
What are the key properties of (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine?
(Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine has a molecular weight of 289.42 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethenylphenyl)-N-(2-fluoropropan-2-yl)-2-[(Z)-prop-1-enyl]sulfanylprop-2-en-1-imine is sourced from PubChem (CID 143743495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).