3,5,5-Trimethylhexyl ethylphosphonofluoridate

HCID 574792

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Basic information

CAS: 959027-88-4
Standard SMILES: CCP(=O)(F)OCCC(C)CC(C)(C)C
InChIKey: OMSZFMNYOJLEBW-UHFFFAOYSA-N
Molecular formula: C11H24FO2P
Average molar mass: 238.28 g/mol
Monoisotopic mass: 238.14979516

Names & identifiers

Preferred name: 3,5,5-Trimethylhexyl ethylphosphonofluoridate
IUPAC: 1-[ethyl(fluoro)phosphoryl]oxy-3,5,5-trimethylhexane

Names & synonyms

3,5,5-Trimethylhexyl ethylphosphonofluoridateDTXSID7013669613,5,5-Trimethylhexyl ethylphosphonofluoridoate #3,5,5-Trimethylhexyl P-ethylphosphonofluoridate959027-88-4

Database identifiers

CAS: 959027-88-4
PubChem CID: 574792
DTXSID: DTXSID701366961

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 223

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