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CAS 910911-43-2 1-FLUORO-2-METHYL-3-(TRIFLUOROMETHYL)BENZENE molecular structure lightbox
CAS RN: 910911-43-2

1-FLUORO-2-METHYL-3-(TRIFLUOROMETHYL)BENZENE

  • Product code: SSC-203922
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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: 5g
  • Available purity: ＞97%
  • 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 910911-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

910911-43-2 / 1-fluoro-2-methyl-3-(trifluoromethyl)benzene

Standard CAS: 910911-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
910911-43-2
Multi CAS
No
Molecular Formula
C8F4H6
Molecular Weight
178.130000
Exact Mass
178.040563
InChI
InChI=1S/C8H6F4/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
InChIKey
YUCGIKTVAIPINQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
4
Molar refractivity
36.14
TPSA
0.0000

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3.3
Consensus LogP
3.07
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-1.57

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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