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

C7H9F6O3P — CID 175706393

IUPAC2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6O3P/c1-2-3-5(7(11,12)13)16-17(14,15)4-6(8,9)10/h2,5H,1,3-4H2,(H,14,15)
InChIKeyGLWGFZRTAWUFIR-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.26
Rot. Bonds5

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

2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (PubChem CID 175706393) has the molecular formula C7H9F6O3P and a molecular weight of 286.11 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
PubChem CID175706393
Molecular FormulaC7H9F6O3P
Molecular Weight286.11 g/mol
Exact Mass286.02
IUPAC Name2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
SMILESC=CCC(OP(=O)(O)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6O3P/c1-2-3-5(7(11,12)13)16-17(14,15)4-6(8,9)10/h2,5H,1,3-4H2,(H,14,15)
InChIKeyGLWGFZRTAWUFIR-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.26
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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Related Compounds

Fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87221887
Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347
3-[Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87623348
Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87623808
4-[Ethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87623809
Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87624465
Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87624873
4-[Butyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxy-5,5,5-trifluoropent-1-ene
CID 87624874
Prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
CID 87625650
4,4,4-Trifluoro-3-[1,1,1-trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene
CID 90787747
5,5,5-Trifluoro-4-[methyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
CID 90920205
5,5,5-Trifluoro-4-[2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphoryl]oxypent-1-ene
CID 91281354

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The IUPAC name of 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid (CID 175706393) is 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid.
What is the SMILES notation for 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The canonical SMILES for 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is C=CCC(OP(=O)(O)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
The InChIKey is GLWGFZRTAWUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6O3P/c1-2-3-5(7(11,12)13)16-17(14,15)4-6(8,9)10/h2,5H,1,3-4H2,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid?
2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid has a molecular weight of 286.11 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid is sourced from PubChem (CID 175706393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).