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CAS 237761-78-3 3′-FLUORO-4′-(TRIFLUOROMETHYL)PROPIOPHENONE molecular structure lightbox
CAS RN: 237761-78-3

3′-FLUORO-4′-(TRIFLUOROMETHYL)PROPIOPHENONE

  • Product code: SSC-115691
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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: 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 237761-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

237761-78-3 / 1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

Standard CAS: 237761-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
237761-78-3
Multi CAS
No
Molecular Formula
C10H8F4O
Molecular Weight
220.160000
Exact Mass
220.051128
SMILES
CCC(=O)C1=CC(=C(C=C1)C(F)(F)F)F
InChI
InChI=1S/C10H8F4O/c1-2-9(15)6-3-4-7(8(11)5-6)10(12,13)14/h3-5H,2H2,1H3
InChIKey
FUSVMXQCFHNSHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46.02
TPSA
17.07

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.1
Consensus LogP
3.19
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-1.62

Drug-likeness / Medicinal Chemistry

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

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