CAS RN: 993-95-3
1,1,2,3,3,3-HEXAFLUOROPROPYL 2,2,2-TRIFLUOROETHYL ETHER
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS993-95-3
- Purity/Analytical Methods: >99.0%
993-95-3 / 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
Basic Information
CAS
993-95-3
Multi CAS
Yes
Molecular Formula
C5F9H3O
Molecular Weight
250.060000
Exact Mass
250.004018
InChI
InChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2
InChIKey
LMRGTZDDPWGCGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
27.9
TPSA
9.23
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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