triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide

C15H25FIOP — CID 157188616

IUPACtriethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
SMILESCC[P+](CC)(CC)CCOc1ccc(C)cc1F.[I-]
InChIInChI=1S/C15H25FOP.HI/c1-5-18(6-2,7-3)11-10-17-15-9-8-13(4)12-14(15)16;/h8-9,12H,5-7,10-11H2,1-4H3;1H/q+1;/p-1
InChIKeyZDPZMZPDMNOBSF-UHFFFAOYSA-M
MW398.24 g/mol
LogP1.59
Rot. Bonds7

About triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide

triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide (PubChem CID 157188616) has the molecular formula C15H25FIOP and a molecular weight of 398.24 g/mol. Its IUPAC name is triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide.

Molecular Properties

Compound Nametriethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
PubChem CID157188616
Molecular FormulaC15H25FIOP
Molecular Weight398.24 g/mol
Exact Mass398.07
IUPAC Nametriethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide
SMILESCC[P+](CC)(CC)CCOc1ccc(C)cc1F.[I-]
InChIInChI=1S/C15H25FOP.HI/c1-5-18(6-2,7-3)11-10-17-15-9-8-13(4)12-14(15)16;/h8-9,12H,5-7,10-11H2,1-4H3;1H/q+1;/p-1
InChIKeyZDPZMZPDMNOBSF-UHFFFAOYSA-M
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-fluoro-4-methylphenoxy)ethyl-trimethylazanium iodide
CID 157057570
N,N-diethyl-8-(2-fluoro-4-methylphenoxy)octan-1-amine
CID 59873231
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
2-(2-fluoro-4-methylphenoxy)ethanesulfonic acid
CID 21333677
2-fluoro-4-methyl-1-propoxybenzene;2,2,2-trifluoroacetate
CID 54317082
1-[2-(2-fluoro-4-methylphenoxy)ethyl]pyridin-1-ium
CID 21333604
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003
1-fluoro-4-methyl-2-(3-methylbutoxy)benzene
CID 64854132
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide?
The IUPAC name of triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide (CID 157188616) is triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide.
What is the SMILES notation for triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide?
The canonical SMILES for triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide is CC[P+](CC)(CC)CCOc1ccc(C)cc1F.[I-].
What is the InChIKey of triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide?
The InChIKey is ZDPZMZPDMNOBSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25FOP.HI/c1-5-18(6-2,7-3)11-10-17-15-9-8-13(4)12-14(15)16;/h8-9,12H,5-7,10-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide?
triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide has a molecular weight of 398.24 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-fluoro-4-methylphenoxy)ethyl]phosphanium iodide is sourced from PubChem (CID 157188616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).