[email protected]
CAS 488-98-2 2-Fluorobenzotrichloride molecular structure lightbox
CAS RN: 488-98-2

2-Fluorobenzotrichloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: ICTF0290
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

488-98-2 / 1-fluoro-2-(trichloromethyl)benzene

Standard CAS: 488-98-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
488-98-2
Multi CAS
Yes
Molecular Formula
C7H4CL3F
Molecular Weight
213.500000
Exact Mass
211.936261
InChI
InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChIKey
JYLVSNNSOWDQQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
45.64
TPSA
0.0000

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.6
Consensus LogP
3.49
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.43

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

Customers Also Viewed

Get In Touch

Contact Us