ethyl-fluoro-(2-methylpentyl)-phenylphosphanium

C14H23FP+ — CID 87995992

IUPACethyl-fluoro-(2-methylpentyl)-phenylphosphanium
SMILESCCCC(C)C[P+](F)(CC)c1ccccc1
InChIInChI=1S/C14H23FP/c1-4-9-13(3)12-16(15,5-2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3/q+1
InChIKeyNCNZDVFZLZCGCK-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.67
Rot. Bonds6

About ethyl-fluoro-(2-methylpentyl)-phenylphosphanium

ethyl-fluoro-(2-methylpentyl)-phenylphosphanium (PubChem CID 87995992) has the molecular formula C14H23FP+ and a molecular weight of 241.31 g/mol. Its IUPAC name is ethyl-fluoro-(2-methylpentyl)-phenylphosphanium.

Molecular Properties

Compound Nameethyl-fluoro-(2-methylpentyl)-phenylphosphanium
PubChem CID87995992
Molecular FormulaC14H23FP+
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Nameethyl-fluoro-(2-methylpentyl)-phenylphosphanium
SMILESCCCC(C)C[P+](F)(CC)c1ccccc1
InChIInChI=1S/C14H23FP/c1-4-9-13(3)12-16(15,5-2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3/q+1
InChIKeyNCNZDVFZLZCGCK-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-fluoro-(2-methylpentyl)-phenylphosphanium?
The IUPAC name of ethyl-fluoro-(2-methylpentyl)-phenylphosphanium (CID 87995992) is ethyl-fluoro-(2-methylpentyl)-phenylphosphanium.
What is the SMILES notation for ethyl-fluoro-(2-methylpentyl)-phenylphosphanium?
The canonical SMILES for ethyl-fluoro-(2-methylpentyl)-phenylphosphanium is CCCC(C)C[P+](F)(CC)c1ccccc1.
What is the InChIKey of ethyl-fluoro-(2-methylpentyl)-phenylphosphanium?
The InChIKey is NCNZDVFZLZCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FP/c1-4-9-13(3)12-16(15,5-2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3/q+1.
What are the key properties of ethyl-fluoro-(2-methylpentyl)-phenylphosphanium?
ethyl-fluoro-(2-methylpentyl)-phenylphosphanium has a molecular weight of 241.31 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-fluoro-(2-methylpentyl)-phenylphosphanium is sourced from PubChem (CID 87995992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).