5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate

C5H8F3O4P — CID 175136123

IUPAC5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate
SMILESCC(C=CC(F)(F)F)OP(=O)(O)O
InChIInChI=1S/C5H8F3O4P/c1-4(12-13(9,10)11)2-3-5(6,7)8/h2-4H,1H3,(H2,9,10,11)
InChIKeyODYVZAWYSKGJMV-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.60
Rot. Bonds3

About 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate

5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate (PubChem CID 175136123) has the molecular formula C5H8F3O4P and a molecular weight of 220.08 g/mol. Its IUPAC name is 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate.

Molecular Properties

Compound Name5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate
PubChem CID175136123
Molecular FormulaC5H8F3O4P
Molecular Weight220.08 g/mol
Exact Mass220.01
IUPAC Name5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate
SMILESCC(C=CC(F)(F)F)OP(=O)(O)O
InChIInChI=1S/C5H8F3O4P/c1-4(12-13(9,10)11)2-3-5(6,7)8/h2-4H,1H3,(H2,9,10,11)
InChIKeyODYVZAWYSKGJMV-UHFFFAOYSA-N
XLogP1.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate?
The IUPAC name of 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate (CID 175136123) is 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate.
What is the SMILES notation for 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate?
The canonical SMILES for 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate is CC(C=CC(F)(F)F)OP(=O)(O)O.
What is the InChIKey of 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate?
The InChIKey is ODYVZAWYSKGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O4P/c1-4(12-13(9,10)11)2-3-5(6,7)8/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate?
5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate has a molecular weight of 220.08 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoropent-3-en-2-yl dihydrogen phosphate is sourced from PubChem (CID 175136123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).