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CAS 311-86-4 2-Bromo-3,3,3-trifluoropropan-1-ol molecular structure lightbox
CAS RN: 311-86-4

2-Bromo-3,3,3-trifluoropropan-1-ol

  • Product code: SSC-136352
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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: 0.1g, 0.25g, 1g, 5g
  • 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 311-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

311-86-4 / 2-bromo-3,3,3-trifluoropropan-1-ol

Standard CAS: 311-86-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
311-86-4
Multi CAS
Yes
Molecular Formula
BC3H4ORf3
Molecular Weight
192.960000
Exact Mass
191.939760
InChI
InChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2
InChIKey
FJNZCBUVTKMTNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.86
TPSA
20.23

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.5
Consensus LogP
1.32
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.97

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
2

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