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CAS 113984-68-2 TERT-BUTYL(4-FLUOROPHENOXY)DIMETHYLSILANE molecular structure lightbox
CAS RN: 113984-68-2

TERT-BUTYL(4-FLUOROPHENOXY)DIMETHYLSILANE

  • Product code: SSC-013905
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113984-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

113984-68-2 / tert-butyl-(4-fluorophenoxy)-dimethylsilane

TERT-BUTYL(4-FLUOROPHENOXY)DIMETHYLSILANE | DTXSID70546642 | RefChem:383867

Standard CAS: 113984-68-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113984-68-2
Multi CAS
No
Molecular Formula
C12H19FOSi
Molecular Weight
226.360000
Exact Mass
226.118920
SMILES
CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)F
InChI
InChI=1S/C12H19FOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,1-5H3
InChIKey
RMAMIJQQZOCWBF-UHFFFAOYSA-N
Synonyms
TERT-BUTYL(4-FLUOROPHENOXY)DIMETHYLSILANE DTXSID70546642 RefChem:383867 DTXCID50497426 Benzene,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
64.23
TPSA
9.23

LogP / Solubility

WLOGP
4.21
MLOGP
3.71
XLogP3
4.21
Consensus LogP
4.04
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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