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CAS 102488-47-1 Chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-n-octyl)silane molecular structure lightbox
CAS RN: 102488-47-1

Chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-n-octyl)silane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 200mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: ICTC1857
  • Purity/Analytical Methods: >94.0%(GC)
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102488-47-1 / chloro-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane | Chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-n-octyl)silane | DTXSID00145182

Standard CAS: 102488-47-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102488-47-1
Multi CAS
Yes
Molecular Formula
C10H10ClF13Si
Molecular Weight
440.700000
Exact Mass
440.003271
SMILES
C[Si](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C10H10ClF13Si/c1-25(2,11)4-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h3-4H2,1-2H3
InChIKey
AKYGPHVLITVSJE-UHFFFAOYSA-N
Synonyms
1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane Chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-n-octyl)silane DTXSID00145182 RefChem:437641 DTXCID1067673

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
13
Molar refractivity
63.55
TPSA
0.0000

LogP / Solubility

WLOGP
6.56
MLOGP
5.8
XLogP3
6.56
Consensus LogP
6.31
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
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)
-0.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids] H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, and P501

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