[2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite

C14H15F2NOS — CID 164881561

IUPAC[2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite
SMILESC=C(C/N=C(\C)c1ccc(C=O)cc1)C(C)(F)SF
InChIInChI=1S/C14H15F2NOS/c1-10(14(3,15)19-16)8-17-11(2)13-6-4-12(9-18)5-7-13/h4-7,9H,1,8H2,2-3H3/b17-11+
InChIKeyMVGFPDCIMJMSKA-GZTJUZNOSA-N
MW283.34 g/mol
LogP4.17
Rot. Bonds6

About [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite

[2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite (PubChem CID 164881561) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite
PubChem CID164881561
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name[2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite
SMILESC=C(C/N=C(\C)c1ccc(C=O)cc1)C(C)(F)SF
InChIInChI=1S/C14H15F2NOS/c1-10(14(3,15)19-16)8-17-11(2)13-6-4-12(9-18)5-7-13/h4-7,9H,1,8H2,2-3H3/b17-11+
InChIKeyMVGFPDCIMJMSKA-GZTJUZNOSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite?
The IUPAC name of [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite (CID 164881561) is [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite.
What is the SMILES notation for [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite?
The canonical SMILES for [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite is C=C(C/N=C(\C)c1ccc(C=O)cc1)C(C)(F)SF.
What is the InChIKey of [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite?
The InChIKey is MVGFPDCIMJMSKA-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-10(14(3,15)19-16)8-17-11(2)13-6-4-12(9-18)5-7-13/h4-7,9H,1,8H2,2-3H3/b17-11+.
What are the key properties of [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite?
[2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite has a molecular weight of 283.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[[1-(4-formylphenyl)ethylideneamino]methyl]but-3-en-2-yl] thiohypofluorite is sourced from PubChem (CID 164881561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).