2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide

C16H12Cl3FNO2P — CID 45127259

IUPAC2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide
SMILESO=C(N/C(=C\F)P(=O)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C16H12Cl3FNO2P/c17-16(18,19)15(22)21-14(11-20)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,21,22)/b14-11+
InChIKeyIAFHQHZPUYZDQZ-SDNWHVSQSA-N
MW406.61 g/mol
LogP4.26
Rot. Bonds4

About 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide

2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide (PubChem CID 45127259) has the molecular formula C16H12Cl3FNO2P and a molecular weight of 406.61 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide
PubChem CID45127259
Molecular FormulaC16H12Cl3FNO2P
Molecular Weight406.61 g/mol
Exact Mass404.97
IUPAC Name2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide
SMILESO=C(N/C(=C\F)P(=O)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C16H12Cl3FNO2P/c17-16(18,19)15(22)21-14(11-20)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,21,22)/b14-11+
InChIKeyIAFHQHZPUYZDQZ-SDNWHVSQSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide (CID 45127259) is 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide is O=C(N/C(=C\F)P(=O)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide?
The InChIKey is IAFHQHZPUYZDQZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H12Cl3FNO2P/c17-16(18,19)15(22)21-14(11-20)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,21,22)/b14-11+.
What are the key properties of 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide?
2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide has a molecular weight of 406.61 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide is sourced from PubChem (CID 45127259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).