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CAS 401-67-2 Difluoroacetic Anhydride molecular structure lightbox
CAS RN: 401-67-2

Difluoroacetic Anhydride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260101 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260205 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTD4164
  • Purity/Analytical Methods: >98.0%(GC)
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401-67-2 / (2,2-difluoroacetyl) 2,2-difluoroacetate

Standard CAS: 401-67-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
401-67-2
Multi CAS
Yes
Molecular Formula
C4F4H2O3
Molecular Weight
174.050000
Exact Mass
173.994007
InChI
InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey
IYXUFOCLMOXQSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
23.11
TPSA
43.37

LogP / Solubility

WLOGP
0.59
MLOGP
0.51
XLogP3
1.6
Consensus LogP
0.9
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

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