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CAS 431-23-2 3,3,3-Trifluoro-2-Methylpropan-1-ol molecular structure lightbox
CAS RN: 431-23-2

3,3,3-Trifluoro-2-Methylpropan-1-ol

  • Product code: SSC-151384
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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: ＞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 431-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

431-23-2 / 3,3,3-trifluoro-2-methylpropan-1-ol

Standard CAS: 431-23-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
431-23-2
Multi CAS
Yes
Molecular Formula
C4F3H7O
Molecular Weight
128.090000
Exact Mass
128.044899
InChI
InChI=1S/C4H7F3O/c1-3(2-8)4(5,6)7/h3,8H,2H2,1H3
InChIKey
GPEPNXRUEOKKDO-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
22.3
TPSA
20.23

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.4
Consensus LogP
1.2
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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