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CAS 133261-33-3 trans-4-(Trifluoromethyl)cyclohexanecarboxylic Acid molecular structure lightbox
CAS RN: 133261-33-3

trans-4-(Trifluoromethyl)cyclohexanecarboxylic Acid

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100g In stock Shanghai Inquiry
Batchno.20260624 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250712 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260619 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250403 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260625 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-039939
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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: 10g
  • 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 133261-33-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

133261-33-3 / 4-(trifluoromethyl)cyclohexane-1-carboxylic acid

Standard CAS: 133261-33-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133261-33-3
Multi CAS
No
Molecular Formula
C8H11F3O2
Molecular Weight
196.170000
Exact Mass
196.071114
SMILES
C1CC(CCC1C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKey
LMEAZIIFLVDISW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.14
TPSA
37.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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