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CAS 377-71-9 DIETHYL TETRAFLUOROSUCCINATE molecular structure lightbox
CAS RN: 377-71-9

DIETHYL TETRAFLUOROSUCCINATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS377-71-9
  • Purity/Analytical Methods: >99.0%
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377-71-9 / diethyl 2,2,3,3-tetrafluorobutanedioate

Standard CAS: 377-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
377-71-9
Multi CAS
Yes
Molecular Formula
C8F4H10O4
Molecular Weight
246.160000
Exact Mass
246.051521
InChI
InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3
InChIKey
BLZSSBPZHBFNBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
43.16
TPSA
52.6

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
2.1
Consensus LogP
1.57
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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