CAS RN: 2994-71-0
PERFLUORODIMETHYLCYCLOBUTANE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS2994-71-0
- Purity/Analytical Methods: >99.0%
2994-71-0 / 1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane
Basic Information
CAS
2994-71-0
Multi CAS
Yes
Molecular Formula
C6F12
Molecular Weight
300.040000
Exact Mass
299.980838
InChI
InChI=1S/C6F12/c7-1(5(13,14)15)2(8,6(16,17)18)4(11,12)3(1,9)10
InChIKey
RBTROQHBNLSUTL-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
H-bond acceptors
12
Molar refractivity
29.68
TPSA
0.0000
LogP / Solubility
WLOGP
3.81
MLOGP
3.37
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
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
2.5
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- CAS RN: 29949-85-7
- Product Code: starshine_CAS29949-85-7
- Purity/Analytical method: >99.0%
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