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CAS RN: 1402412-84-3
2-Fluoro-1-(2-fluoro-phenyl)-ethanone
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250309 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1402412-84-3
- Purity/Analytical Methods: >99.0%
1402412-84-3 / 2-fluoro-1-(2-fluorophenyl)ethanone
Basic Information
CAS
1402412-84-3
Multi CAS
No
Molecular Formula
C8H6F2O
Molecular Weight
156.130000
Exact Mass
156.038671
SMILES
C1=CC=C(C(=C1)C(=O)CF)F
InChI
InChI=1S/C8H6F2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKey
KIOMSGFSUOJAHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
36.71
TPSA
17.07
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
2.1
Consensus LogP
1.94
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.27
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]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
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