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

C6H9F3O2P+ — CID 87623279

IUPACbut-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESC=C(CC)[P+](=O)OCC(F)(F)F
InChIInChI=1S/C6H9F3O2P/c1-3-5(2)12(10)11-4-6(7,8)9/h2-4H2,1H3/q+1
InChIKeyZLAZPMHKZBSWPQ-UHFFFAOYSA-N
MW201.10 g/mol
LogP3.23
Rot. Bonds4

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

but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 87623279) has the molecular formula C6H9F3O2P+ and a molecular weight of 201.10 g/mol. Its IUPAC name is but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Namebut-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID87623279
Molecular FormulaC6H9F3O2P+
Molecular Weight201.10 g/mol
Exact Mass201.03
IUPAC Namebut-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESC=C(CC)[P+](=O)OCC(F)(F)F
InChIInChI=1S/C6H9F3O2P/c1-3-5(2)12(10)11-4-6(7,8)9/h2-4H2,1H3/q+1
InChIKeyZLAZPMHKZBSWPQ-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium (CID 87623279) is but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium is C=C(CC)[P+](=O)OCC(F)(F)F.
What is the InChIKey of but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is ZLAZPMHKZBSWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2P/c1-3-5(2)12(10)11-4-6(7,8)9/h2-4H2,1H3/q+1.
What are the key properties of but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 201.10 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yl-oxo-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 87623279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).