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CAS 104384-69-2 2-Bromo-1-(2-trifluoromethylphenyl)-propan-1-one molecular structure lightbox
CAS RN: 104384-69-2

2-Bromo-1-(2-trifluoromethylphenyl)-propan-1-one

  • Product code: SSC-006147
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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 104384-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

104384-69-2 / 2-bromo-1-[2-(trifluoromethyl)phenyl]propan-1-one

2-bromo-1-[2-(trifluoromethyl)phenyl]propan-1-one | MFCD18392394 | 2-Bromo-2'-(trifluoromethyl)propiophenone

Standard CAS: 104384-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104384-69-2
Multi CAS
Yes
Molecular Formula
C10H8BrF3O
Molecular Weight
281.070000
Exact Mass
279.971060
SMILES
CC(C(=O)C1=CC=CC=C1C(F)(F)F)Br
InChI
InChI=1S/C10H8BrF3O/c1-6(11)9(15)7-4-2-3-5-8(7)10(12,13)14/h2-6H,1H3
InChIKey
HEFXTBTYIGBJDA-UHFFFAOYSA-N
Synonyms
2-bromo-1-[2-(trifluoromethyl)phenyl]propan-1-one MFCD18392394 2-Bromo-2'-(trifluoromethyl)propiophenone 2-bromo-1-(2-(trifluoromethyl)phenyl)propan-1-one 2-Bromo-1-[2-(trifluoromethyl)phenyl]-1-propanone

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
54.16
TPSA
17.07

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
3.7
Consensus LogP
3.54
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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