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CAS No.: | 71989-92-9 |
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Name: | 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol |
Molecular Structure: | |
Formula: | C12H14F3NO |
Molecular Weight: | 245.244 |
Synonyms: | 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol;1-[3-(Trifluoromethyl)phenyl]-4-piperidinol |
EINECS: | 276-266-9 |
Density: | 1.275 g/cm3 |
Boiling Point: | 331.2 °C at 760 mmHg |
Flash Point: | 154.1 °C |
PSA: | 23.47000 |
LogP: | 2.73150 |
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The 4-Piperidinol,1-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 71989-92-9, has the IUPAC name 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol. Its molecular formula is C12H14F3NO and its molecular weight is 245.24.
Other characteristics of the 4-Piperidinol,1-[3-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.16; (6)ACD/BCF (pH 7.4): 74.99; (7)ACD/KOC (pH 5.5): 756.67; (8)ACD/KOC (pH 7.4): 765.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 57.63 cm3; (15)Molar Volume: 192.1 cm3; (16)Polarizability: 22.85×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.275 g/cm3; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 60.58 kJ/mol; (21)Boiling Point: 331.2 °C at 760 mmHg; (22)Vapour Pressure: 6.31E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cc(ccc1)N2CCC(O)CC2
2.InChI: InChI=1/C12H14F3NO/c13-12(14,15)9-2-1-3-10(8-9)16-6-4-11(17)5-7-16/h1-3,8,11,17H,4-7H2
3.InChIKey: CAEKNRWCZUHTDC-UHFFFAOYAB