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704208-25-3

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Basic Information
CAS No.: 704208-25-3
Name: 7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE
Article Data: 4
Molecular Structure:
Molecular Structure of 704208-25-3 (7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE)
Formula: C10H10F3NO
Molecular Weight: 217.191
Synonyms: (7-Trifluoromethylchroman-4-yl)amine;
Density: 1.29g/cm3
Boiling Point: 249.656 °C at 760 mmHg
Flash Point: 104.789 °C
PSA: 35.25000
LogP: 3.18800
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Specification

The 2H-1-Benzopyran-4-amine,3,4-dihydro-7-(trifluoromethyl)-, with CAS registry number 704208-25-3, has the systematic name of 7-(trifluoromethyl)chroman-4-amine. And its IUPAC name is 7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine. The chemical formula of this chemical is C10H10F3NO.

Physical properties of 2H-1-Benzopyran-4-amine,3,4-dihydro-7-(trifluoromethyl)-: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 5.142; (6)ACD/KOC (pH 5.5): 1.279; (7)ACD/KOC (pH 7.4): 61.449; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 48.565 cm3; (14)Molar Volume: 168.388 cm3; (15)Polarizability: 19.253×10-24cm3; (16)Surface Tension: 33.52 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 104.789 °C; (19)Enthalpy of Vaporization: 48.69 kJ/mol; (20)Boiling Point: 249.656 °C at 760 mmHg; (21)Vapour Pressure: 0.023 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C(F)(F)F)OCCC2N
(2)InChI: InChI=1/C10H10F3NO/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5,8H,3-4,14H2
(3)InChIKey: MMCIPVIZAJIRKM-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H10F3NO/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5,8H,3-4,14H2
(5)Std. InChIKey: MMCIPVIZAJIRKM-UHFFFAOYSA-N