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CAS 674-55-5 3,3,3-trifluoropropyl-1-boronic acid molecular structure lightbox
CAS RN: 674-55-5

3,3,3-trifluoropropyl-1-boronic acid

  • Product code: SSC-177099
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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 674-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

674-55-5 / 3,3,3-trifluoropropylboronic acid

Standard CAS: 674-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
674-55-5
Multi CAS
No
Molecular Formula
BC3F3H6O2
Molecular Weight
141.890000
Exact Mass
142.041294
InChI
InChI=1S/C3H6BF3O2/c5-3(6,7)1-2-4(8)9/h8-9H,1-2H2
InChIKey
WWWFGWPBMSKDOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.67
TPSA
40.46

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.29

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

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