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CAS 1344365-71-4 1-(2,2,2-trifluoroethyl)azetidin-3-ol molecular structure lightbox
CAS RN: 1344365-71-4

1-(2,2,2-trifluoroethyl)azetidin-3-ol

  • Product code: SSC-042193
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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: 0.1g, 0.25g, 5g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1344365-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1344365-71-4 / 1-(2,2,2-trifluoroethyl)azetidin-3-ol

Standard CAS: 1344365-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1344365-71-4
Multi CAS
No
Molecular Formula
C5H8F3NO
Molecular Weight
155.120000
Exact Mass
155.055798
SMILES
C1C(CN1CC(F)(F)F)O
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)3-9-1-4(10)2-9/h4,10H,1-3H2
InChIKey
XQYSYBCXJJTCJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.5
TPSA
23.47

LogP / Solubility

WLOGP
0.23
MLOGP
0.19
XLogP3
0.5
Consensus LogP
0.31
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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