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CAS 1550-44-3 2,2-Difluoroethyl Acetate molecular structure lightbox
CAS RN: 1550-44-3

2,2-Difluoroethyl Acetate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250517 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250919 500g In stock Shanghai, Tianjin Inquiry
Batchno.20251023 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: ICTD5040
  • Purity/Analytical Methods: >98.0%(GC)
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1550-44-3 / 2,2-difluoroethyl acetate

Standard CAS: 1550-44-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1550-44-3
Multi CAS
No
Molecular Formula
C4H6F2O2
Molecular Weight
124.090000
Exact Mass
124.033586
SMILES
CC(=O)OCC(F)F
InChI
InChI=1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
InChIKey
PFJLHSIZFYNAHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
22.64
TPSA
26.3

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
1
Consensus LogP
0.84
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-2.9

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)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (50%): Flammable liquid and vapor [Warning Flammable liquids] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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