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CAS 352-61-4 5,5,5-TRIFLUOROPENTAN-1-OL molecular structure lightbox
CAS RN: 352-61-4

5,5,5-TRIFLUOROPENTAN-1-OL

  • Product code: SSC-142058
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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 352-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

352-61-4 / 5,5,5-trifluoropentan-1-ol

Standard CAS: 352-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352-61-4
Multi CAS
No
Molecular Formula
C5F3H9O
Molecular Weight
142.120000
Exact Mass
142.060549
InChI
InChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKey
WNHMIKSCDKSJDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.99
TPSA
20.23

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.1
Consensus LogP
1.44
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
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)
-2.37

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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