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CAS 22515-16-8 4,4-DIFLUOROHEPTANEDIOIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 22515-16-8

4,4-DIFLUOROHEPTANEDIOIC ACID DIETHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-110092
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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: 5g
  • Available purity: ≥97%
  • 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 22515-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

22515-16-8 / diethyl 4,4-difluoroheptanedioate

Standard CAS: 22515-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22515-16-8
Multi CAS
No
Molecular Formula
C11H18F2O4
Molecular Weight
252.250000
Exact Mass
252.117315
SMILES
CCOC(=O)CCC(CCC(=O)OCC)(F)F
InChI
InChI=1S/C11H18F2O4/c1-3-16-9(14)5-7-11(12,13)8-6-10(15)17-4-2/h3-8H2,1-2H3
InChIKey
XUOBBVMKXUPPEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
56.68
TPSA
52.6

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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