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CAS 1765-26-0 2,2-BIS(TRIFLUOROMETHYL)-1,3-DIOXOLANE molecular structure lightbox
CAS RN: 1765-26-0

2,2-BIS(TRIFLUOROMETHYL)-1,3-DIOXOLANE

  • Product code: SSC-077288
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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 1765-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1765-26-0 / 2,2-bis(trifluoromethyl)-1,3-dioxolane

Standard CAS: 1765-26-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1765-26-0
Multi CAS
No
Molecular Formula
C5H4F6O2
Molecular Weight
210.070000
Exact Mass
210.011548
SMILES
C1COC(O1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C5H4F6O2/c6-4(7,8)3(5(9,10)11)12-1-2-13-3/h1-2H2
InChIKey
PQNNUQKDERZMPQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
26.74
TPSA
18.46

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.69

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Health Hazard
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403+P235, P405, and P501

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