ChemSpider 2D Image | DIHYDRO EFAVIRENZ, (E)- | C14H11ClF3NO2

DIHYDRO EFAVIRENZ, (E)-

  • Molecular FormulaC14H11ClF3NO2
  • Average mass317.691 Da
  • Monoisotopic mass317.043030 Da
  • ChemSpider ID57456053

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-3,1-Benzoxazin-2-one, 6-chloro-4-[(E)-2-cyclopropylethenyl]-1,4-dihydro-4-(trifluoromethyl)- [ACD/Index Name]
6-Chlor-4-[(E)-2-cyclopropylvinyl]-4-(trifluormethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
6-Chloro-4-[(E)-2-cyclopropylvinyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
6-Chloro-4-[(E)-2-cyclopropylvinyl]-4-(trifluorométhyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
DIHYDRO EFAVIRENZ, (E)-
(E)-Dihydro Efavirenz
440124-96-9 [RN]
Efavirenz Related Compound B (15 mg) ((S,E)-6-Chloro-4-(2-Cyclopropylvinyl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RT81GN1Z40 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 322.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.5±27.9 °C
Index of Refraction: 1.652
Molar Refractivity: 73.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1444.00
ACD/KOC (pH 5.5): 6356.46
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1443.58
ACD/KOC (pH 7.4): 6354.63
Polar Surface Area: 38 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 200.1±3.0 cm3

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