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CAS 104863-67-4 2,2,2-Trifluoro-N-methoxy-N-methylacetamide molecular structure lightbox
CAS RN: 104863-67-4

2,2,2-Trifluoro-N-methoxy-N-methylacetamide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260130 100ml In stock Shanghai, Shandong Inquiry
Batchno.20260511 25ml In stock Shanghai, Guangdong Inquiry
Batchno.20250708 500ml Out of stock 8-10 business days Inquiry
Batchno.20260302 5ml In stock Shanghai Inquiry
  • Product code: SSC-006579
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104863-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 2 In Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

104863-67-4 / 2,2,2-trifluoro-N-methoxy-N-methylacetamide

2,2,2-trifluoro-N-methoxy-N-methylacetamide | DTXSID00382055 | RefChem:80799

Standard CAS: 104863-67-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104863-67-4
Multi CAS
Yes
Molecular Formula
C4H6F3NO2
Molecular Weight
157.090000
Exact Mass
157.035063
SMILES
CN(C(=O)C(F)(F)F)OC
InChI
InChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3
InChIKey
JDBJZZTZYKUFFK-UHFFFAOYSA-N
Synonyms
2,2,2-trifluoro-N-methoxy-N-methylacetamide DTXSID00382055 RefChem:80799 DTXCID80333080 629-135-9

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
25.83
TPSA
29.54

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.9
Consensus LogP
0.66
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.27

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

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P303+P361+P353, P305+P351+P338, P321, P330, P337+P317, P370+P378, P403+P235, P405, and P501

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