1,1,1-trifluoropent-3-en-2-ylphosphonic acid

C5H8F3O3P — CID 173019276

IUPAC1,1,1-trifluoropent-3-en-2-ylphosphonic acid
SMILESCC=CC(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C5H8F3O3P/c1-2-3-4(5(6,7)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyFXVUVENTGFYQGA-UHFFFAOYSA-N
MW204.08 g/mol
LogP1.67
Rot. Bonds2

About 1,1,1-trifluoropent-3-en-2-ylphosphonic acid

1,1,1-trifluoropent-3-en-2-ylphosphonic acid (PubChem CID 173019276) has the molecular formula C5H8F3O3P and a molecular weight of 204.08 g/mol. Its IUPAC name is 1,1,1-trifluoropent-3-en-2-ylphosphonic acid.

Molecular Properties

Compound Name1,1,1-trifluoropent-3-en-2-ylphosphonic acid
PubChem CID173019276
Molecular FormulaC5H8F3O3P
Molecular Weight204.08 g/mol
Exact Mass204.02
IUPAC Name1,1,1-trifluoropent-3-en-2-ylphosphonic acid
SMILESCC=CC(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C5H8F3O3P/c1-2-3-4(5(6,7)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyFXVUVENTGFYQGA-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,1,1-trifluoropent-3-en-2-ylphosphonic acid?
The IUPAC name of 1,1,1-trifluoropent-3-en-2-ylphosphonic acid (CID 173019276) is 1,1,1-trifluoropent-3-en-2-ylphosphonic acid.
What is the SMILES notation for 1,1,1-trifluoropent-3-en-2-ylphosphonic acid?
The canonical SMILES for 1,1,1-trifluoropent-3-en-2-ylphosphonic acid is CC=CC(C(F)(F)F)P(=O)(O)O.
What is the InChIKey of 1,1,1-trifluoropent-3-en-2-ylphosphonic acid?
The InChIKey is FXVUVENTGFYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O3P/c1-2-3-4(5(6,7)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 1,1,1-trifluoropent-3-en-2-ylphosphonic acid?
1,1,1-trifluoropent-3-en-2-ylphosphonic acid has a molecular weight of 204.08 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropent-3-en-2-ylphosphonic acid is sourced from PubChem (CID 173019276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).