fluoro-dimethyl-(2-phosphonooxyethyl)azanium

C4H12FNO4P+ — CID 88909319

IUPACfluoro-dimethyl-(2-phosphonooxyethyl)azanium
SMILESC[N+](C)(F)CCOP(=O)(O)O
InChIInChI=1S/C4H11FNO4P/c1-6(2,5)3-4-10-11(7,8)9/h3-4H2,1-2H3,(H-,7,8,9)/p+1
InChIKeyMJSPZCHTWBWMSH-UHFFFAOYSA-O
MW188.11 g/mol
LogP0.06
Rot. Bonds4

About fluoro-dimethyl-(2-phosphonooxyethyl)azanium

fluoro-dimethyl-(2-phosphonooxyethyl)azanium (PubChem CID 88909319) has the molecular formula C4H12FNO4P+ and a molecular weight of 188.11 g/mol. Its IUPAC name is fluoro-dimethyl-(2-phosphonooxyethyl)azanium.

Molecular Properties

Compound Namefluoro-dimethyl-(2-phosphonooxyethyl)azanium
PubChem CID88909319
Molecular FormulaC4H12FNO4P+
Molecular Weight188.11 g/mol
Exact Mass188.05
IUPAC Namefluoro-dimethyl-(2-phosphonooxyethyl)azanium
SMILESC[N+](C)(F)CCOP(=O)(O)O
InChIInChI=1S/C4H11FNO4P/c1-6(2,5)3-4-10-11(7,8)9/h3-4H2,1-2H3,(H-,7,8,9)/p+1
InChIKeyMJSPZCHTWBWMSH-UHFFFAOYSA-O
XLogP0.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(2-phosphonooxyethyl)azanium;chloride;hydrochloride
CID 87786144
calcium;sodium;hydride;trimethyl(2-phosphonooxyethyl)azanium
CID 174453960
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
dimethyl-(2-phosphonooxyethyl)-(4-sulfanylbutyl)azanium
CID 118588472
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
2,3-dihydroxypropanoyl 2,3-dihydroxypropanoate;trimethyl(2-phosphonooxyethyl)azanium;chloride
CID 87760482
2-(trimethylazaniumyl)ethyl hydrogen phosphate;hydrate
CID 90410935
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
CID 157010255
CID 157010255

Frequently Asked Questions

What is the IUPAC name of fluoro-dimethyl-(2-phosphonooxyethyl)azanium?
The IUPAC name of fluoro-dimethyl-(2-phosphonooxyethyl)azanium (CID 88909319) is fluoro-dimethyl-(2-phosphonooxyethyl)azanium.
What is the SMILES notation for fluoro-dimethyl-(2-phosphonooxyethyl)azanium?
The canonical SMILES for fluoro-dimethyl-(2-phosphonooxyethyl)azanium is C[N+](C)(F)CCOP(=O)(O)O.
What is the InChIKey of fluoro-dimethyl-(2-phosphonooxyethyl)azanium?
The InChIKey is MJSPZCHTWBWMSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11FNO4P/c1-6(2,5)3-4-10-11(7,8)9/h3-4H2,1-2H3,(H-,7,8,9)/p+1.
What are the key properties of fluoro-dimethyl-(2-phosphonooxyethyl)azanium?
fluoro-dimethyl-(2-phosphonooxyethyl)azanium has a molecular weight of 188.11 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-dimethyl-(2-phosphonooxyethyl)azanium is sourced from PubChem (CID 88909319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).