tris(furan-2-yl)-(trifluoromethoxy)phosphanium

C13H9F3O4P+ — CID 171817304

IUPACtris(furan-2-yl)-(trifluoromethoxy)phosphanium
SMILESFC(F)(F)O[P+](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C13H9F3O4P/c14-13(15,16)20-21(10-4-1-7-17-10,11-5-2-8-18-11)12-6-3-9-19-12/h1-9H/q+1
InChIKeyXPCYHLZFDSIGIP-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.21
Rot. Bonds4

About tris(furan-2-yl)-(trifluoromethoxy)phosphanium

tris(furan-2-yl)-(trifluoromethoxy)phosphanium (PubChem CID 171817304) has the molecular formula C13H9F3O4P+ and a molecular weight of 317.18 g/mol. Its IUPAC name is tris(furan-2-yl)-(trifluoromethoxy)phosphanium.

Molecular Properties

Compound Nametris(furan-2-yl)-(trifluoromethoxy)phosphanium
PubChem CID171817304
Molecular FormulaC13H9F3O4P+
Molecular Weight317.18 g/mol
Exact Mass317.02
IUPAC Nametris(furan-2-yl)-(trifluoromethoxy)phosphanium
SMILESFC(F)(F)O[P+](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C13H9F3O4P/c14-13(15,16)20-21(10-4-1-7-17-10,11-5-2-8-18-11)12-6-3-9-19-12/h1-9H/q+1
InChIKeyXPCYHLZFDSIGIP-UHFFFAOYSA-N
XLogP3.21
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(furan-2-yl)-(trifluoromethoxy)phosphanium?
The IUPAC name of tris(furan-2-yl)-(trifluoromethoxy)phosphanium (CID 171817304) is tris(furan-2-yl)-(trifluoromethoxy)phosphanium.
What is the SMILES notation for tris(furan-2-yl)-(trifluoromethoxy)phosphanium?
The canonical SMILES for tris(furan-2-yl)-(trifluoromethoxy)phosphanium is FC(F)(F)O[P+](c1ccco1)(c1ccco1)c1ccco1.
What is the InChIKey of tris(furan-2-yl)-(trifluoromethoxy)phosphanium?
The InChIKey is XPCYHLZFDSIGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O4P/c14-13(15,16)20-21(10-4-1-7-17-10,11-5-2-8-18-11)12-6-3-9-19-12/h1-9H/q+1.
What are the key properties of tris(furan-2-yl)-(trifluoromethoxy)phosphanium?
tris(furan-2-yl)-(trifluoromethoxy)phosphanium has a molecular weight of 317.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(furan-2-yl)-(trifluoromethoxy)phosphanium is sourced from PubChem (CID 171817304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).