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CAS 406-90-6 2,2,2-TRIFLUOROETHYL VINYL ETHER molecular structure lightbox
CAS RN: 406-90-6

2,2,2-TRIFLUOROETHYL VINYL ETHER

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 100mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS406-90-6
  • Purity/Analytical Methods: >99.0%
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406-90-6 / 2-ethenoxy-1,1,1-trifluoroethane

Standard CAS: 406-90-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
406-90-6
Multi CAS
No
Molecular Formula
C4F3H5O
Molecular Weight
126.080000
Exact Mass
126.029249
InChI
InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2
InChIKey
DLEGDLSLRSOURQ-UHFFFAOYSA-N

Physical Properties

Boiling Point
109 °F at 760 mmHg (NIOSH, 2024) 109 °F
Density
1.14 (NIOSH, 2024) - Denser than water; will sink 1.14
Physical Description
Volatile Liquid. Bp: 43 °C. Density: 1.14 g cm-3. Formerly used as an inhalation anesthetic. Liquid. (inhalation anesthetic); Note: A gas above 109 degrees F; [NIOSH] Liquid. [inhalation anesthetic] [Note: A gas above 109 °F.]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
22.2
TPSA
9.23

LogP / Solubility

WLOGP
1.71
MLOGP
1.49
XLogP3
1.9
Consensus LogP
1.7
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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