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CAS 1717-59-5 2,2-Difluoro-2-(fluorosulfonyl)acetic Acid molecular structure lightbox
CAS RN: 1717-59-5

2,2-Difluoro-2-(fluorosulfonyl)acetic Acid

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251120 10g In stock Shenzhen, Chengdu Inquiry
Batchno.20250728 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250509 500g In stock Chengdu Inquiry
  • Product code: ICTF0500
  • Purity/Analytical Methods: >95.0%(T)
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1717-59-5 / 2,2-difluoro-2-fluorosulfonylacetic acid

Standard CAS: 1717-59-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1717-59-5
Multi CAS
No
Molecular Formula
C2HF3O4S
Molecular Weight
178.090000
Exact Mass
177.954764
SMILES
C(=O)(C(F)(F)S(=O)(=O)F)O
InChI
InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)
InChIKey
VYDQUABHDFWIIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
22.61
TPSA
71.44

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.04
XLogP3
0.5
Consensus LogP
0.14
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.83

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)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (86.3%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (86.3%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501

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