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CAS 156241-41-7 1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 156241-41-7

1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251019 100mg Out of stock Inquiry
Batchno.20250426 1g Out of stock Inquiry
Batchno.20260619 250mg Out of stock Inquiry
Batchno.20250814 5g Out of stock Inquiry
  • Product code: SSC-065283
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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 156241-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

156241-41-7 / 1,1,1,3,3,3-hexafluoropropan-2-yl trifluoromethanesulfonate

Standard CAS: 156241-41-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
156241-41-7
Multi CAS
No
Molecular Formula
C4HF9O3S
Molecular Weight
300.100000
Exact Mass
299.950269
SMILES
C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4HF9O3S/c5-2(6,7)1(3(8,9)10)16-17(14,15)4(11,12)13/h1H
InChIKey
NRHQWNHARTXNOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
31.96
TPSA
43.37

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
3.2
Consensus LogP
2.54
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501

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