2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide

C16H12Cl3F3NO2P — CID 4054307

IUPAC2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide
SMILESO=C(NC(C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12Cl3F3NO2P/c17-15(18,19)14(23-13(24)16(20,21)22)26(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H,23,24)
InChIKeyBRCPSPCFRNXHSB-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.38
Rot. Bonds4

About 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide

2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide (PubChem CID 4054307) has the molecular formula C16H12Cl3F3NO2P and a molecular weight of 444.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide
PubChem CID4054307
Molecular FormulaC16H12Cl3F3NO2P
Molecular Weight444.60 g/mol
Exact Mass442.96
IUPAC Name2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide
SMILESO=C(NC(C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H12Cl3F3NO2P/c17-15(18,19)14(23-13(24)16(20,21)22)26(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H,23,24)
InChIKeyBRCPSPCFRNXHSB-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.38
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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Related Compounds

CID 796967
CID 796967
CID 1180558
CID 1180558
CID 2303502
CID 2303502
CID 2303503
CID 2303503
CID 2325301
CID 2325301
CID 2325302
CID 2325302
CID 5071749
CID 5071749
CID 21179216
CID 21179216
CID 21179217
CID 21179217
CID 21204835
CID 21204835
CID 45127259
CID 45127259
CID 101714736
CID 101714736

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide (CID 4054307) is 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide is O=C(NC(C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide?
The InChIKey is BRCPSPCFRNXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3F3NO2P/c17-15(18,19)14(23-13(24)16(20,21)22)26(25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide?
2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide has a molecular weight of 444.60 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide is sourced from PubChem (CID 4054307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).