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CAS 31185-54-3 2-(Trifluoromethyl)oxazolidine molecular structure lightbox
CAS RN: 31185-54-3

2-(Trifluoromethyl)oxazolidine

  • Product code: SSC-136453
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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: 0.25g
  • 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 31185-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

31185-54-3 / 2-(trifluoromethyl)-1,3-oxazolidine

Standard CAS: 31185-54-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31185-54-3
Multi CAS
Yes
Molecular Formula
C4F3H6NO
Molecular Weight
141.090000
Exact Mass
141.040148
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2
InChIKey
FBPSIMNHRRIBKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.8
TPSA
21.26

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.7
Consensus LogP
0.54
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
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)
-3.23

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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