ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid

C12H14F3O4P — CID 87761081

IUPACethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3O4P/c1-2-19-20(17,18)8-11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18)
InChIKeyCUXUSGADVRPUOC-UHFFFAOYSA-N
MW310.21 g/mol
LogP3.04
Rot. Bonds6

About ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid

ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid (PubChem CID 87761081) has the molecular formula C12H14F3O4P and a molecular weight of 310.21 g/mol. Its IUPAC name is ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
PubChem CID87761081
Molecular FormulaC12H14F3O4P
Molecular Weight310.21 g/mol
Exact Mass310.06
IUPAC Nameethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3O4P/c1-2-19-20(17,18)8-11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18)
InChIKeyCUXUSGADVRPUOC-UHFFFAOYSA-N
XLogP3.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
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CID 82920013
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
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ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid
CID 87797224
1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-(3-methylphenyl)propan-2-one
CID 132517919
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 116557886
1-(prop-2-ynylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116589424
[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
CID 57291400

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid?
The IUPAC name of ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid (CID 87761081) is ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid is CCOP(=O)(O)CC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid?
The InChIKey is CUXUSGADVRPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3O4P/c1-2-19-20(17,18)8-11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18).
What are the key properties of ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid?
ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid has a molecular weight of 310.21 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid is sourced from PubChem (CID 87761081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).