prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid

C6H10F3O3P — CID 87625650

IUPACprop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
SMILESC=CCP(=O)(O)OC(C)C(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-3-4-13(10,11)12-5(2)6(7,8)9/h3,5H,1,4H2,2H3,(H,10,11)
InChIKeyGQHNWNYPWNVWMJ-UHFFFAOYSA-N
MW218.11 g/mol
LogP2.33
Rot. Bonds4

About prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid

prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid (PubChem CID 87625650) has the molecular formula C6H10F3O3P and a molecular weight of 218.11 g/mol. Its IUPAC name is prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Nameprop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
PubChem CID87625650
Molecular FormulaC6H10F3O3P
Molecular Weight218.11 g/mol
Exact Mass218.03
IUPAC Nameprop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
SMILESC=CCP(=O)(O)OC(C)C(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-3-4-13(10,11)12-5(2)6(7,8)9/h3,5H,1,4H2,2H3,(H,10,11)
InChIKeyGQHNWNYPWNVWMJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 52.33
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 prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
The IUPAC name of prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid (CID 87625650) is prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid.
What is the SMILES notation for prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
The canonical SMILES for prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid is C=CCP(=O)(O)OC(C)C(F)(F)F.
What is the InChIKey of prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
The InChIKey is GQHNWNYPWNVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O3P/c1-3-4-13(10,11)12-5(2)6(7,8)9/h3,5H,1,4H2,2H3,(H,10,11).
What are the key properties of prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid has a molecular weight of 218.11 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid is sourced from PubChem (CID 87625650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).