Ethyl (1-hydroxycyclohexyl)(pentafluorophenyl)phosphinate

HCID 660334

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Basic information

CAS: 385420-00-8
Standard SMILES: CCOP(=O)(c1c(F)c(F)c(F)c(F)c1F)C1(O)CCCCC1
InChIKey: IJWQTQDJZLNFBB-UHFFFAOYSA-N
Molecular formula: C14H16F5O3P
Average molar mass: 358.24 g/mol
Monoisotopic mass: 358.07572218

Names & identifiers

Preferred name: Ethyl (1-hydroxycyclohexyl)(pentafluorophenyl)phosphinate
IUPAC: 1-[ethoxy-(2,3,4,5,6-pentafluorophenyl)phosphoryl]cyclohexan-1-ol

Names & synonyms

ethyl (1-hydroxycyclohexyl)(pentafluorophenyl)phosphinateSMR000041171MLS000038484MLS002581737CHEMBL1387428DTXSID701152508HMS2290G07STK540436AKOS005470554385420-00-8ethyl (1-hydroxycyclohexyl)(perfluorophenyl)phosphinatePhosphinic acid, (1-hydroxycyclohexyl)(pentafluorophenyl)-, ethyl ester

Database identifiers

CAS: 385420-00-8
PubChem CID: 660334
DTXSID: DTXSID701152508
ChEMBL: CHEMBL1387428

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 444

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