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CAS 3539-97-7 (S)-1,1,1-TRIFLUORO-2-PROPANOL molecular structure lightbox
CAS RN: 3539-97-7

(S)-1,1,1-TRIFLUORO-2-PROPANOL

  • Product code: SSC-142384
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3539-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 4 In Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

3539-97-7 / 1,1,1-trifluoropropan-2-ol

Standard CAS: 3539-97-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3539-97-7
Multi CAS
Yes
Molecular Formula
C3F3H5O
Molecular Weight
114.070000
Exact Mass
114.029249
InChI
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1
InChIKey
GILIYJDBJZWGBG-REOHCLBHSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.74
TPSA
20.23

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
0.7
Consensus LogP
0.81
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-2.76

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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