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CAS 2248-93-3 11H-PERFLUOROUNDECANOYL CHLORIDE molecular structure lightbox
CAS RN: 2248-93-3

11H-PERFLUOROUNDECANOYL CHLORIDE

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 1g In stock Inquiry
Batchno.20250914 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250111 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2248-93-3
  • Purity/Analytical Methods: >99.0%
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2248-93-3 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl chloride

Standard CAS: 2248-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2248-93-3
Multi CAS
No
Molecular Formula
C11HClF20O
Molecular Weight
564.540000
Exact Mass
563.939656
SMILES
C(C(C(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11HClF20O/c12-1(33)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(13)14/h2H
InChIKey
LFSNWCISDMSHBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.91
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
61.39
TPSA
17.07

LogP / Solubility

WLOGP
6.73
MLOGP
5.97
XLogP3
7.7
Consensus LogP
6.8
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-9.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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