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CAS 209991-64-0 2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID molecular structure lightbox
CAS RN: 209991-64-0

2-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260420 100mg In stock Inquiry
Batchno.20250515 1g In stock Inquiry
Batchno.20250831 250mg In stock Inquiry
Batchno.20251121 5g In stock Inquiry
  • Product code: SSC-099858
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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: ≥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 209991-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

209991-64-0 / 2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid

Standard CAS: 209991-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209991-64-0
Multi CAS
No
Molecular Formula
C9H6F4O2
Molecular Weight
222.140000
Exact Mass
222.030392
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)CC(=O)O
InChI
InChI=1S/C9H6F4O2/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15/h1-2,4H,3H2,(H,14,15)
InChIKey
LUIOBGWYVHPKRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.74
TPSA
37.3

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.32

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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