2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium

C10H15F3O2P+ — CID 68926876

IUPAC2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](C=CC1CCCCC1)OCC(F)(F)F
InChIInChI=1S/C10H15F3O2P/c11-10(12,13)8-15-16(14)7-6-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2/q+1
InChIKeyXUFCUWSWCOUBNG-UHFFFAOYSA-N
MW255.20 g/mol
LogP4.40
Rot. Bonds4

About 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium

2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 68926876) has the molecular formula C10H15F3O2P+ and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Name2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID68926876
Molecular FormulaC10H15F3O2P+
Molecular Weight255.20 g/mol
Exact Mass255.08
IUPAC Name2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](C=CC1CCCCC1)OCC(F)(F)F
InChIInChI=1S/C10H15F3O2P/c11-10(12,13)8-15-16(14)7-6-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2/q+1
InChIKeyXUFCUWSWCOUBNG-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 54.40
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 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium (CID 68926876) is 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium is O=[P+](C=CC1CCCCC1)OCC(F)(F)F.
What is the InChIKey of 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is XUFCUWSWCOUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2P/c11-10(12,13)8-15-16(14)7-6-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2/q+1.
What are the key properties of 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium?
2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 255.20 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 68926876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).