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CAS 356-42-3 Pentafluoropropionic Anhydride molecular structure lightbox
CAS RN: 356-42-3

Pentafluoropropionic Anhydride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250222 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250112 500g In stock Shenzhen, Tianjin Inquiry
Batchno.20260610 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: ICTP0566
  • Purity/Analytical Methods: >95.0%(GC)(T)
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356-42-3 / 2,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate

Standard CAS: 356-42-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
356-42-3
Multi CAS
Yes
Molecular Formula
C6F10O3
Molecular Weight
310.050000
Exact Mass
309.968775
InChI
InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16
InChIKey
XETRHNFRKCNWAJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.1
TPSA
43.37

LogP / Solubility

WLOGP
2.45
MLOGP
2.17
XLogP3
3.5
Consensus LogP
2.71
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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