prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate

C5H8F3O4P — CID 175013597

IUPACprop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C5H8F3O4P/c1-2-3-11-13(9,10)12-4-5(6,7)8/h2H,1,3-4H2,(H,9,10)
InChIKeyZVJAWZXBSDHGEX-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.87
Rot. Bonds5

About prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate

prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate (PubChem CID 175013597) has the molecular formula C5H8F3O4P and a molecular weight of 220.08 g/mol. Its IUPAC name is prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate.

Molecular Properties

Compound Nameprop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate
PubChem CID175013597
Molecular FormulaC5H8F3O4P
Molecular Weight220.08 g/mol
Exact Mass220.01
IUPAC Nameprop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C5H8F3O4P/c1-2-3-11-13(9,10)12-4-5(6,7)8/h2H,1,3-4H2,(H,9,10)
InChIKeyZVJAWZXBSDHGEX-UHFFFAOYSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate?
The IUPAC name of prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate (CID 175013597) is prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate.
What is the SMILES notation for prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate?
The canonical SMILES for prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate is C=CCOP(=O)(O)OCC(F)(F)F.
What is the InChIKey of prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate?
The InChIKey is ZVJAWZXBSDHGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O4P/c1-2-3-11-13(9,10)12-4-5(6,7)8/h2H,1,3-4H2,(H,9,10).
What are the key properties of prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate?
prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate has a molecular weight of 220.08 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate is sourced from PubChem (CID 175013597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).