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CAS 13171-18-1 Hexafluoroisopropyl Methyl Ether molecular structure lightbox
CAS RN: 13171-18-1

Hexafluoroisopropyl Methyl Ether

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 100g In stock Inquiry
Batchno.20251215 1g In stock Inquiry
Batchno.20251210 25g In stock Inquiry
Batchno.20260423 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 100g In stock Shanghai Inquiry
Batchno.20250730 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250610 25g In stock Shanghai Inquiry
Batchno.20251116 5g In stock Shanghai Inquiry
  • Product code: SSC-038845
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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 13171-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

13171-18-1 / 1,1,1,3,3,3-hexafluoro-2-methoxypropane

Standard CAS: 13171-18-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13171-18-1
Multi CAS
No
Molecular Formula
C4H4F6O
Molecular Weight
182.060000
Exact Mass
182.016634
SMILES
COC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKey
VNXYDFNVQBICRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
22.91
TPSA
9.23

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2.4
Consensus LogP
2.13
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (66.7%): Highly Flammable liquid and vapor [Danger Flammable liquids] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501

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