ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid

C7H12F3O3P — CID 87623808

IUPACethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CC)C(F)(F)F
InChIInChI=1S/C7H12F3O3P/c1-3-5-6(7(8,9)10)13-14(11,12)4-2/h3,6H,1,4-5H2,2H3,(H,11,12)
InChIKeyCOAYCYIUGWKXJK-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.72
Rot. Bonds5

About ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid

ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (PubChem CID 87623808) has the molecular formula C7H12F3O3P and a molecular weight of 232.14 g/mol. Its IUPAC name is ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
PubChem CID87623808
Molecular FormulaC7H12F3O3P
Molecular Weight232.14 g/mol
Exact Mass232.05
IUPAC Nameethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CC)C(F)(F)F
InChIInChI=1S/C7H12F3O3P/c1-3-5-6(7(8,9)10)13-14(11,12)4-2/h3,6H,1,4-5H2,2H3,(H,11,12)
InChIKeyCOAYCYIUGWKXJK-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The IUPAC name of ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (CID 87623808) is ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.
What is the SMILES notation for ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The canonical SMILES for ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is C=CCC(OP(=O)(O)CC)C(F)(F)F.
What is the InChIKey of ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The InChIKey is COAYCYIUGWKXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O3P/c1-3-5-6(7(8,9)10)13-14(11,12)4-2/h3,6H,1,4-5H2,2H3,(H,11,12).
What are the key properties of ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid has a molecular weight of 232.14 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 87623808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).