3-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium

HCID 16110

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Basic information

CAS: 79351-07-8
Standard SMILES: C[N+](C)(C)CCCOP(C)(=O)F
InChIKey: XYNGQJSDVCCUBH-UHFFFAOYSA-N
Molecular formula: C7H18FNO2P+
Average molar mass: 198.2 g/mol
Monoisotopic mass: 198.10591898

Names & identifiers

Preferred name: 3-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium
IUPAC: 3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium

Names & synonyms

79351-07-8DTXSID0010004193-((Fluoro(methyl)phosphoryl)oxy)-N,N,N-trimethylpropan-1-aminium3-{[Fluoro(methyl)phosphoryl]oxy}-N,N,N-trimethylpropan-1-aminiumRefChem:1066335DTXCID001427382(3-Hydroxypropyl)trimethylammonium ester with methylphosphonofluoridateNIOSH/BR5778200Methyl fluorophosphoryl homocholineBR57782000Ammonium, (3-hydroxypropyl)trimethyl-, inner salt, methylphosphonofluoridate, (ester)AMMONIUM, (3-HYDROXYPROPYL)TRIMETHYL-, ESTER with METHYLPHOSPHONOFLUORIDATE

Database identifiers

CAS: 79351-07-8
PubChem CID: 16110
DTXSID: DTXSID001000419

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 1
Complexity: 179

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