triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium

C9H15F7P+ — CID 21062501

IUPACtriethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium
SMILESCC[P+](CC)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F7P/c1-4-17(5-2,6-3)9(15,16)7(10,11)8(12,13)14/h4-6H2,1-3H3/q+1
InChIKeySLJATKVECOKTQW-UHFFFAOYSA-N
MW287.18 g/mol
LogP4.85
Rot. Bonds5

About triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium

triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium (PubChem CID 21062501) has the molecular formula C9H15F7P+ and a molecular weight of 287.18 g/mol. Its IUPAC name is triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium.

Molecular Properties

Compound Nametriethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium
PubChem CID21062501
Molecular FormulaC9H15F7P+
Molecular Weight287.18 g/mol
Exact Mass287.08
IUPAC Nametriethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium
SMILESCC[P+](CC)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H15F7P/c1-4-17(5-2,6-3)9(15,16)7(10,11)8(12,13)14/h4-6H2,1-3H3/q+1
InChIKeySLJATKVECOKTQW-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium?
The IUPAC name of triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium (CID 21062501) is triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium.
What is the SMILES notation for triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium?
The canonical SMILES for triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium is CC[P+](CC)(CC)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium?
The InChIKey is SLJATKVECOKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F7P/c1-4-17(5-2,6-3)9(15,16)7(10,11)8(12,13)14/h4-6H2,1-3H3/q+1.
What are the key properties of triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium?
triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium has a molecular weight of 287.18 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium is sourced from PubChem (CID 21062501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).