oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium

C5H7F3O2P+ — CID 87624153

IUPACoxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium
SMILESC=C(C)[P+](=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O2P/c1-4(2)11(9)10-3-5(6,7)8/h1,3H2,2H3/q+1
InChIKeyOBEFOAZRYYULLT-UHFFFAOYSA-N
MW187.08 g/mol
LogP2.84
Rot. Bonds3

About oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium

oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 87624153) has the molecular formula C5H7F3O2P+ and a molecular weight of 187.08 g/mol. Its IUPAC name is oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Nameoxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID87624153
Molecular FormulaC5H7F3O2P+
Molecular Weight187.08 g/mol
Exact Mass187.01
IUPAC Nameoxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium
SMILESC=C(C)[P+](=O)OCC(F)(F)F
InChIInChI=1S/C5H7F3O2P/c1-4(2)11(9)10-3-5(6,7)8/h1,3H2,2H3/q+1
InChIKeyOBEFOAZRYYULLT-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 87623279
3-(2,2,2-trifluoroethoxy)but-3-en-2-one
CID 71773825
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
2,2,2-trifluoroethyl 2-methylprop-2-eneperoxoate
CID 155125944
2,2,2-trifluoroethyl 4-acetyl-1,4-diazepane-1-carboxylate
CID 65173403
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
CID 143770359
2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 144715413
methoxycarbonyl-oxo-(2,2,3,3,3-pentafluoropropoxy)phosphanium
CID 130463731
2,2,2-trifluoroethyl (Z)-3-aminobut-2-enoate
CID 19107499
2,2,2-trifluoroethyl 2-methylprop-2-enoate;1,4-xylene
CID 67852922
2-methylbut-2-enoic acid;2,2,2-trifluoroethyl prop-2-enoate
CID 87690665
propyl 2-(2,2,2-trifluoroethoxymethyl)prop-2-enoate
CID 139680991

Frequently Asked Questions

What is the IUPAC name of oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium (CID 87624153) is oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium is C=C(C)[P+](=O)OCC(F)(F)F.
What is the InChIKey of oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is OBEFOAZRYYULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2P/c1-4(2)11(9)10-3-5(6,7)8/h1,3H2,2H3/q+1.
What are the key properties of oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium?
oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 187.08 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 87624153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).