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CAS 2118332-08-2 2-Fluoro-6-(trifluoromethyl)benzoic Anhydride molecular structure lightbox
CAS RN: 2118332-08-2

2-Fluoro-6-(trifluoromethyl)benzoic Anhydride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260408 1g In stock Inquiry
Batchno.20260308 250mg In stock Inquiry
Batchno.20260321 5g In stock Inquiry
  • Product code: SSC-101188
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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: 1g
  • 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 2118332-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2118332-08-2 / [2-fluoro-6-(trifluoromethyl)benzoyl] 2-fluoro-6-(trifluoromethyl)benzoate

Standard CAS: 2118332-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2118332-08-2
Multi CAS
No
Molecular Formula
C16H6F8O3
Molecular Weight
398.200000
Exact Mass
398.018919
SMILES
C1=CC(=C(C(=C1)F)C(=O)OC(=O)C2=C(C=CC=C2F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H6F8O3/c17-9-5-1-3-7(15(19,20)21)11(9)13(25)27-14(26)12-8(16(22,23)24)4-2-6-10(12)18/h1-6H
InChIKey
WBQMFZFVXXISMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.55
TPSA
43.37

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
5.2
Consensus LogP
4.87
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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