2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide

C16H14Cl3FNO2P — CID 2325301

IUPAC2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
SMILESO=C(CF)N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Cl3FNO2P/c17-16(18,19)15(21-14(22)11-20)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,21,22)/t15-/m0/s1
InChIKeyMYDJCXSRDKOHGG-HNNXBMFYSA-N
MW408.62 g/mol
LogP3.78
Rot. Bonds5

About 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide

2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide (PubChem CID 2325301) has the molecular formula C16H14Cl3FNO2P and a molecular weight of 408.62 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
PubChem CID2325301
Molecular FormulaC16H14Cl3FNO2P
Molecular Weight408.62 g/mol
Exact Mass406.98
IUPAC Name2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
SMILESO=C(CF)N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Cl3FNO2P/c17-16(18,19)15(21-14(22)11-20)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,21,22)/t15-/m0/s1
InChIKeyMYDJCXSRDKOHGG-HNNXBMFYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.62
LogP ≤ 53.78
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-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
The IUPAC name of 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide (CID 2325301) is 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide is O=C(CF)N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
The InChIKey is MYDJCXSRDKOHGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14Cl3FNO2P/c17-16(18,19)15(21-14(22)11-20)24(23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide has a molecular weight of 408.62 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide is sourced from PubChem (CID 2325301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).