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CAS 22410-44-2 PENTAFLUOROETHYL METHYL ETHER molecular structure lightbox
CAS RN: 22410-44-2

PENTAFLUOROETHYL METHYL ETHER

  • Product code: SSC-109165
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22410-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

22410-44-2 / 1,1,1,2,2-pentafluoro-2-methoxyethane

Standard CAS: 22410-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22410-44-2
Multi CAS
No
Molecular Formula
C3H3F5O
Molecular Weight
150.050000
Exact Mass
150.010406
SMILES
COC(C(F)(F)F)(F)F
InChI
InChI=1S/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3
InChIKey
GCDWNCOAODIANN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
18.01
TPSA
9.23

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
2
Consensus LogP
1.79
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.37

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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