[email protected]
CAS 69857-37-0 2-Fluoro-7,7,8,8-tetracyanoquinodimethane molecular structure lightbox
CAS RN: 69857-37-0

2-Fluoro-7,7,8,8-tetracyanoquinodimethane

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 25mg In stock Shandong Inquiry
  • Product code: ICTF0509
  • Purity/Analytical Methods: >98.0%(N)
GET A QUOTE

69857-37-0 / 2-[4-(dicyanomethylidene)-3-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile

Standard CAS: 69857-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69857-37-0
Multi CAS
No
Molecular Formula
C12FH3N4
Molecular Weight
222.180000
Exact Mass
222.034174
InChI
InChI=1S/C12H3FN4/c13-12-3-8(9(4-14)5-15)1-2-11(12)10(6-16)7-17/h1-3H
InChIKey
BXPLEMMFZOKIHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
54.92
TPSA
95.16

LogP / Solubility

WLOGP
0.22
MLOGP
0.2
XLogP3
0.8
Consensus LogP
0.41
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us