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

C16H12Cl3F3NO2P — CID 2303502

IUPAC2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
SMILESO=C(N[C@H](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)/t14-/m0/s1
InChIKeyBRCPSPCFRNXHSB-AWEZNQCLSA-N
MW444.60 g/mol
LogP4.38
Rot. Bonds4

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

2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide (PubChem CID 2303502) has the molecular formula C16H12Cl3F3NO2P and a molecular weight of 444.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
PubChem CID2303502
Molecular FormulaC16H12Cl3F3NO2P
Molecular Weight444.60 g/mol
Exact Mass442.96
IUPAC Name2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
SMILESO=C(N[C@H](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)/t14-/m0/s1
InChIKeyBRCPSPCFRNXHSB-AWEZNQCLSA-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'}

Analyze 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
N-[2,2-dichloro-1-(diphenylphosphoryl)vinyl]-2-fluoroacetamide
CID 1180558
2,2,2-trifluoro-N-[(1R)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2303503
2-fluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2325301
2-fluoro-N-[(1R)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide
CID 2325302
N-[1-(diphenylcarbonyl)-2,2,2-trichloroethyl]-2,2,2-trifluoroacetamide
CID 4054307
2-fluoro-N-(2,2,2-trichloro-1-diphenylphosphorylethyl)acetamide
CID 5071749
Oxo-phenyl-[2,2,2-trichloro-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphanium;toluene
CID 21179216
Oxo-phenyl-[2,2,2-trichloro-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphanium
CID 21179217
N-(diphenylphosphorylmethyl)-2,2,2-trifluoroacetamide
CID 21204835
2,2,2-trichloro-N-[(E)-1-diphenylphosphoryl-2-fluoroethenyl]acetamide
CID 45127259
N-[(Z,2R)-9-diphenylphosphorylnon-6-en-2-yl]-2,2,2-trifluoroacetamide
CID 101714736

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide (CID 2303502) is 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide is O=C(N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
The InChIKey is BRCPSPCFRNXHSB-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide?
2,2,2-trifluoro-N-[(1S)-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-[(1S)-2,2,2-trichloro-1-diphenylphosphorylethyl]acetamide is sourced from PubChem (CID 2303502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).