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CAS 10536-62-6 Bis(pentafluorophenyl)dimethylsilane molecular structure lightbox
CAS RN: 10536-62-6

Bis(pentafluorophenyl)dimethylsilane

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  • Product code: ICTB2277
  • Purity/Analytical Methods: >97.0%(GC)
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10536-62-6 / dimethyl-bis(2,3,4,5,6-pentafluorophenyl)silane

Bis(pentafluorophenyl)dimethylsilane | DTXSID40147089 | RefChem:120264

Standard CAS: 10536-62-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10536-62-6
Multi CAS
Yes
Molecular Formula
C14H6F10Si
Molecular Weight
392.270000
Exact Mass
392.007908
SMILES
C[Si](C)(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C14H6F10Si/c1-25(2,13-9(21)5(17)3(15)6(18)10(13)22)14-11(23)7(19)4(16)8(20)12(14)24/h1-2H3
InChIKey
PMUJBDOVBQRNLP-UHFFFAOYSA-N
Synonyms
Bis(pentafluorophenyl)dimethylsilane DTXSID40147089 RefChem:120264 DTXCID1069580 671-618-1

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
10
Molar refractivity
69.21
TPSA
0.0000

LogP / Solubility

WLOGP
3.9
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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