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

C13H9F3O3P+ — CID 171527868

IUPACtris(furan-2-yl)-(trifluoromethyl)phosphanium
SMILESFC(F)(F)[P+](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C13H9F3O3P/c14-13(15,16)20(10-4-1-7-17-10,11-5-2-8-18-11)12-6-3-9-19-12/h1-9H/q+1
InChIKeyKZXAUBKTLKHDLZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.28
Rot. Bonds3

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

tris(furan-2-yl)-(trifluoromethyl)phosphanium (PubChem CID 171527868) has the molecular formula C13H9F3O3P+ and a molecular weight of 301.18 g/mol. Its IUPAC name is tris(furan-2-yl)-(trifluoromethyl)phosphanium.

Molecular Properties

Compound Nametris(furan-2-yl)-(trifluoromethyl)phosphanium
PubChem CID171527868
Molecular FormulaC13H9F3O3P+
Molecular Weight301.18 g/mol
Exact Mass301.02
IUPAC Nametris(furan-2-yl)-(trifluoromethyl)phosphanium
SMILESFC(F)(F)[P+](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C13H9F3O3P/c14-13(15,16)20(10-4-1-7-17-10,11-5-2-8-18-11)12-6-3-9-19-12/h1-9H/q+1
InChIKeyKZXAUBKTLKHDLZ-UHFFFAOYSA-N
XLogP3.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tris(furan-2-yl)phosphane
CID 521585
Mercury, di-2-furanyl-
CID 141435
Phosphine oxide, tri-2-furanyl-
CID 99413
2-[Bis(furan-2-yl)phosphanyl]ethyl-bis(furan-2-yl)phosphane
CID 14154521
Tri(3-furyl)phosphine
CID 10304870
Arsine, tri-2-furyl-
CID 46841
Chlorodi(2-furyl)phosphine
CID 5104771
Dimethyldi(2-furyl)germane
CID 13384393
Tri(2-furyl)phosphine selenide
CID 23271194
Mercury, di-3-furanyl-
CID 141436
Germane, tetra-2-furanyl-
CID 459184
Methyltri(2-furyl)silane
CID 13084937

Frequently Asked Questions

What is the IUPAC name of tris(furan-2-yl)-(trifluoromethyl)phosphanium?
The IUPAC name of tris(furan-2-yl)-(trifluoromethyl)phosphanium (CID 171527868) is tris(furan-2-yl)-(trifluoromethyl)phosphanium.
What is the SMILES notation for tris(furan-2-yl)-(trifluoromethyl)phosphanium?
The canonical SMILES for tris(furan-2-yl)-(trifluoromethyl)phosphanium is FC(F)(F)[P+](c1ccco1)(c1ccco1)c1ccco1.
What is the InChIKey of tris(furan-2-yl)-(trifluoromethyl)phosphanium?
The InChIKey is KZXAUBKTLKHDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O3P/c14-13(15,16)20(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)-(trifluoromethyl)phosphanium?
tris(furan-2-yl)-(trifluoromethyl)phosphanium has a molecular weight of 301.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(furan-2-yl)-(trifluoromethyl)phosphanium is sourced from PubChem (CID 171527868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).