CAS RN: 90999-87-4
3,4,4,4-TETRAFLUORO-3-(TRIFLUOROMETHYL)BUTAN-1-OL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90999-87-4
- Purity/Analytical Methods: >99.0%
90999-87-4 / 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butan-1-ol
Basic Information
CAS
90999-87-4
Multi CAS
No
Molecular Formula
C5F7H5O
Molecular Weight
214.080000
Exact Mass
214.022862
InChI
InChI=1S/C5H5F7O/c6-3(1-2-13,4(7,8)9)5(10,11)12/h13H,1-2H2
InChIKey
KKVIDVONCZYZLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.65
TPSA
20.23
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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