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CAS 1187933-45-4 8-Fluoro-4,4-dimethyl-1,2,3,4-tetrahydroquinoline molecular structure lightbox
CAS RN: 1187933-45-4

8-Fluoro-4,4-dimethyl-1,2,3,4-tetrahydroquinoline

  • Product code: SSC-018883
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1187933-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

1187933-45-4 / 8-fluoro-4,4-dimethyl-2,3-dihydro-1H-quinoline

8-Fluoro-4,4-dimethyl-1,2,3,4-tetrahydroquinoline | DTXSID701234849 | 8-Fluoro-1,2,3,4-tetrahydro-4,4-dimethylquinoline

Standard CAS: 1187933-45-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187933-45-4
Multi CAS
No
Molecular Formula
C11H14FN
Molecular Weight
179.230000
Exact Mass
179.111028
SMILES
CC1(CCNC2=C1C=CC=C2F)C
InChI
InChI=1S/C11H14FN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKey
BGBLEQYVGGLHRH-UHFFFAOYSA-N
Synonyms
8-Fluoro-4,4-dimethyl-1,2,3,4-tetrahydroquinoline DTXSID701234849 8-Fluoro-1,2,3,4-tetrahydro-4,4-dimethylquinoline RefChem:548023 DTXCID001666031

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.53
TPSA
12.03

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
3.3
Consensus LogP
2.93
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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