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CAS 1228568-65-7 (2R)-2-(2-FLUOROPHENYL)PYRROLIDINE molecular structure lightbox
CAS RN: 1228568-65-7

(2R)-2-(2-FLUOROPHENYL)PYRROLIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1228568-65-7
  • Purity/Analytical Methods: >99.0%
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1228568-65-7 / (2R)-2-(2-fluorophenyl)pyrrolidine

Standard CAS: 1228568-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228568-65-7
Multi CAS
No
Molecular Formula
C10H12FN
Molecular Weight
165.210000
Exact Mass
165.095378
SMILES
C1C[C@@H](NC1)C2=CC=CC=C2F
InChI
InChI=1S/C10H12FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2/t10-/m1/s1
InChIKey
NOJCVVKIBLHAGW-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.38
TPSA
12.03

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.13

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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