ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid

C12H16F3O3P — CID 118483624

IUPACethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid
SMILESCCOP(=O)(O)C(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3O3P/c1-4-18-19(16,17)11(2,3)9-5-7-10(8-6-9)12(13,14)15/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyGMEMYSZNBMCGSN-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.16
Rot. Bonds4

About ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid

ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid (PubChem CID 118483624) has the molecular formula C12H16F3O3P and a molecular weight of 296.23 g/mol. Its IUPAC name is ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid
PubChem CID118483624
Molecular FormulaC12H16F3O3P
Molecular Weight296.23 g/mol
Exact Mass296.08
IUPAC Nameethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid
SMILESCCOP(=O)(O)C(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3O3P/c1-4-18-19(16,17)11(2,3)9-5-7-10(8-6-9)12(13,14)15/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyGMEMYSZNBMCGSN-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid?
The IUPAC name of ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid (CID 118483624) is ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid?
The canonical SMILES for ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid is CCOP(=O)(O)C(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid?
The InChIKey is GMEMYSZNBMCGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3O3P/c1-4-18-19(16,17)11(2,3)9-5-7-10(8-6-9)12(13,14)15/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid?
ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid has a molecular weight of 296.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]phosphinic acid is sourced from PubChem (CID 118483624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).