(dimethylamino)[2-(dimethylamino)ethyl]phosphinoyl fluoride

• ChemBase ID: 127633
• Molecular Formular: C6H16FN2OP
• Molecular Mass: 182.1762042
• Monoisotopic Mass: 182.09842799
• SMILES: FP(=O)(N(C)C)CCN(C)C
• Canonical SMILES: CN(CCP(=O)(N(C)C)F)C
• InChI: InChI=1S/C6H16FN2OP/c1-8(2)5-6-11(7,10)9(3)4/h5-6H2,1-4H3
• InChIKey: JJHAGEZAXYOCMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethylamino)[2-(dimethylamino)ethyl]phosphinoyl fluoride
• IUPAC Traditional name: GV (nerve agent)
• Synonyms: GV (nerve agent)

Database IDs

• CAS Number: 141102-74-1
• PubChem SID: 162221951
• PubChem CID: 132333; 126856
• Chemspider ID: 112656
• Wikipedia Title: GV_(nerve_agent)

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.8977308
• LogD (pH = 7.4): -1.1262419
• Log P: -0.44494757
• Molar Refractivity: 45.5864 cm^3
• Polarizability: 17.512634 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true