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| CAS No.: | 768-92-3 |
|---|---|
| Name: | 1-Fluoroadamantane |
| Molecular Structure: | |
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| Formula: | C10H15F |
| Molecular Weight: | 154.228 |
| Synonyms: | 1-FLUOROADAMANTANE;1-ADAMANTYL FLUORIDE |
| Density: | 1.06 g/cm3 |
| Melting Point: | 225 °C |
| Boiling Point: | 188.8 °C at 760 mmHg |
| Flash Point: | 67.3 °C |
| Hazard Symbols: | Xi |
| PSA: | 0.00000 |
| LogP: | 2.92470 |
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Specification
This chemical is called 1-Fluoroadamantane, and its systematic name is 1-fluorotricyclo[3.3.1.13,7]decane. With the molecular formula of C10H15F, its molecular weight is 154.22. The CAS registry number of this chemical is 768-92-3.
Other characteristics of the 1-Fluoroadamantane can be summarised as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 223.13 ; (6)ACD/BCF (pH 7.4): 223.13; (7)ACD/KOC (pH 5.5): 1669.98 ; (8)ACD/KOC (pH 7.4): 1669.98 ; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 42.27 cm3; (14)Molar Volume: 145 cm3; (15)Polarizability: 16.76×10-24cm3; (16)Surface Tension: 30.6 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 67.3 °C; (19)Enthalpy of Vaporization: 40.76 kJ/mol; (20)Boiling Point: 188.8 °C at 760 mmHg ; (21)Vapour Pressure: 0.813 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC13CC2CC(CC(C1)C2)C3
2.InChI: InChI=1/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
3.InChIKey: CPWSNJSGSXXVLD-UHFFFAOYAD