cyclohexyl fluoro(methyl)phosphinate

• ChemBase ID: 126824
• Molecular Formular: C7H14FO2P
• Molecular Mass: 180.1570242
• Monoisotopic Mass: 180.07154454
• SMILES: O=P(F)(OC1CCCCC1)C
• Canonical SMILES: CP(=O)(OC1CCCCC1)F
• InChI: InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3
• InChIKey: SNTRKUOVAPUGAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl fluoro(methyl)phosphinate
• IUPAC Traditional name: cyclosarin
• Synonyms: (Fluoro-methyl-phosphoryl)oxycyclohexane; Cyclosarin

Database IDs

• PubChem SID: 162221151
• PubChem CID: 64505
• Chemspider ID: 58069
• Wikipedia Title: Cyclosarin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7035012
• LogD (pH = 7.4): 1.7035012
• Log P: 1.7035012
• Molar Refractivity: 41.6112 cm^3
• Polarizability: 16.6934 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Almost insoluble in water
• Apperance: Colorless liquid
• Melting Point: -30°C
• Boiling Point: 239°C
• Flash Point: 94 °C
• Density: 1.1278 g/cm^3