ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid

C9H10F3O5P — CID 87797224

IUPACethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C9H10F3O5P/c1-2-16-18(14,15)5-6(13)7-3-4-8(17-7)9(10,11)12/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyJBANRCNNFIBRRX-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.70
Rot. Bonds5

About ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid

ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid (PubChem CID 87797224) has the molecular formula C9H10F3O5P and a molecular weight of 286.14 g/mol. Its IUPAC name is ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid
PubChem CID87797224
Molecular FormulaC9H10F3O5P
Molecular Weight286.14 g/mol
Exact Mass286.02
IUPAC Nameethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C9H10F3O5P/c1-2-16-18(14,15)5-6(13)7-3-4-8(17-7)9(10,11)12/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyJBANRCNNFIBRRX-UHFFFAOYSA-N
XLogP2.70
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-2-oxoethyl]phosphinic acid
CID 87371519
ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
CID 87761081
[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-ethoxyphosphinic acid
CID 87372060
ethoxy-(2-naphthalen-2-yl-2-oxoethyl)phosphinic acid
CID 87885614
N-(2,6-dimethoxyphenyl)-5-(trifluoromethyl)furan-2-carboxamide
CID 134541444
[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid
CID 87190527
ethyl 2-amino-3-[5-(trifluoromethyl)furan-2-yl]propanoate
CID 135364882
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
ethoxy-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl]phosphinic acid
CID 87175840
ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
CID 87885688
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
CID 87598523

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid?
The IUPAC name of ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid (CID 87797224) is ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid is CCOP(=O)(O)CC(=O)c1ccc(C(F)(F)F)o1.
What is the InChIKey of ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid?
The InChIKey is JBANRCNNFIBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3O5P/c1-2-16-18(14,15)5-6(13)7-3-4-8(17-7)9(10,11)12/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid?
ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid has a molecular weight of 286.14 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-oxo-2-[5-(trifluoromethyl)furan-2-yl]ethyl]phosphinic acid is sourced from PubChem (CID 87797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).