CAS RN: 460748-85-0
(S)-2-(fluoroMethyl)pyrrolidine
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS460748-85-0
- Purity/Analytical Methods: >99.0%
460748-85-0 / 2-(fluoromethyl)pyrrolidine
Basic Information
CAS
460748-85-0
Multi CAS
Yes
Molecular Formula
C5FH10N
Molecular Weight
103.140000
Exact Mass
103.079727
InChI
InChI=1S/C5H10FN/c6-4-5-2-1-3-7-5/h5,7H,1-4H2/t5-/m0/s1
InChIKey
WMCKMBIRRGZGLE-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27
TPSA
12.03
LogP / Solubility
WLOGP
0.71
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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