but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid

C6H10F3O3P — CID 175706388

IUPACbut-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
SMILESC=CCCOP(=O)(O)CC(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-2-3-4-12-13(10,11)5-6(7,8)9/h2H,1,3-5H2,(H,10,11)
InChIKeySGTLYUTZANEVLJ-UHFFFAOYSA-N
MW218.11 g/mol
LogP2.33
Rot. Bonds5

About but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid

but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid (PubChem CID 175706388) has the molecular formula C6H10F3O3P and a molecular weight of 218.11 g/mol. Its IUPAC name is but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid.

Molecular Properties

Compound Namebut-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
PubChem CID175706388
Molecular FormulaC6H10F3O3P
Molecular Weight218.11 g/mol
Exact Mass218.03
IUPAC Namebut-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid
SMILESC=CCCOP(=O)(O)CC(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-2-3-4-12-13(10,11)5-6(7,8)9/h2H,1,3-5H2,(H,10,11)
InChIKeySGTLYUTZANEVLJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

but-3-enoxy(butyl)phosphinic acid
CID 87154754
2-cyclohexylethoxy(2,2,2-trifluoroethyl)phosphinic acid
CID 87155985
bis(but-3-enyl) fluoro phosphate
CID 130422814
bromo but-3-enyl fluoro phosphate
CID 130422709
4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
CID 155207384
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
[2-ethyl-4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butyl] prop-2-enyl hydrogen phosphate
CID 175473325
3-[but-3-enoxy(methyl)phosphoryl]oxy-3-methylbut-1-yne
CID 89235539
bis(but-3-enyl)phosphinic acid
CID 10487444
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
CID 20726647
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168

Frequently Asked Questions

What is the IUPAC name of but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid?
The IUPAC name of but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid (CID 175706388) is but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid.
What is the SMILES notation for but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid?
The canonical SMILES for but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid is C=CCCOP(=O)(O)CC(F)(F)F.
What is the InChIKey of but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid?
The InChIKey is SGTLYUTZANEVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O3P/c1-2-3-4-12-13(10,11)5-6(7,8)9/h2H,1,3-5H2,(H,10,11).
What are the key properties of but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid?
but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid has a molecular weight of 218.11 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy(2,2,2-trifluoroethyl)phosphinic acid is sourced from PubChem (CID 175706388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).