WW2

cyclohexyl (S)-methylphosphonofluoridoate

Created: 2009-10-22
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count25
Aromatic Bond Count0
2D diagram of WW2

Chemical Component Summary

Namecyclohexyl (S)-methylphosphonofluoridoate
SynonymsCyclosarin
Systematic Name (OpenEye OEToolkits)[fluoro(methyl)phosphoryl]oxycyclohexane
FormulaC7 H14 F O2 P
Molecular Weight180.157
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs11.02O=P(F)(OC1CCCCC1)C
SMILESCACTVS3.352C[P](F)(=O)OC1CCCCC1
SMILESOpenEye OEToolkits1.7.0CP(=O)(OC1CCCCC1)F
Canonical SMILESCACTVS3.352 C[P@](F)(=O)OC1CCCCC1
Canonical SMILESOpenEye OEToolkits1.7.0 C[P@](=O)(OC1CCCCC1)F
InChIInChI1.03 InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3/t11-/m0/s1
InChIKeyInChI1.03 SNTRKUOVAPUGAY-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 14366907