3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide

C7H18FINO2P — CID 16109

IUPAC3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
SMILESC[N+](C)(C)CCCOP(C)(=O)F.[I-]
InChIInChI=1S/C7H18FNO2P.HI/c1-9(2,3)6-5-7-11-12(4,8)10;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyLYPAAGZOQTYZTK-UHFFFAOYSA-M
MW325.10 g/mol
LogP-1.10
Rot. Bonds5

About 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide

3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide (PubChem CID 16109) has the molecular formula C7H18FINO2P and a molecular weight of 325.10 g/mol. Its IUPAC name is 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide.

Molecular Properties

Compound Name3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
PubChem CID16109
Molecular FormulaC7H18FINO2P
Molecular Weight325.10 g/mol
Exact Mass325.01
IUPAC Name3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
SMILESC[N+](C)(C)CCCOP(C)(=O)F.[I-]
InChIInChI=1S/C7H18FNO2P.HI/c1-9(2,3)6-5-7-11-12(4,8)10;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyLYPAAGZOQTYZTK-UHFFFAOYSA-M
XLogP-1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.10
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
3-[hydroxy(octadecoxy)phosphoryl]oxypropyl-trimethylazanium
CID 58922759
3-[hexadecoxy(hydroxy)phosphoryl]oxypropyl-trimethylazanium
CID 23641649
methane;3-methoxypropyl(trimethyl)azanium
CID 159181056
32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
dibutyl phosphate;hexadecyl(trimethyl)azanium
CID 19078841
decyl(trimethyl)azanium;dioctyl phosphate
CID 170436179
bis(decyl(trimethyl)azanium);octyl phosphate
CID 170436231
2-[methoxy-[16-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxyhexadecoxy]phosphoryl]oxyethyl-trimethylazanium
CID 121392301
trimethyl-[3-(methylideneamino)oxypropyl]azanium
CID 170430877
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide?
The IUPAC name of 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide (CID 16109) is 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide.
What is the SMILES notation for 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide?
The canonical SMILES for 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide is C[N+](C)(C)CCCOP(C)(=O)F.[I-].
What is the InChIKey of 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide?
The InChIKey is LYPAAGZOQTYZTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18FNO2P.HI/c1-9(2,3)6-5-7-11-12(4,8)10;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide?
3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide has a molecular weight of 325.10 g/mol, XLogP of -1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide is sourced from PubChem (CID 16109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).