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CAS 107910-31-6 2-amino-4,4-difluorobutanoic acid molecular structure lightbox
CAS RN: 107910-31-6

2-amino-4,4-difluorobutanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS107910-31-6
  • Purity/Analytical Methods: >99.0%
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107910-31-6 / 2-amino-4,4-difluorobutanoic acid

2-amino-4,4-difluorobutanoic acid | MFCD12807562 | 4,4-difluoro-2-aminobutyric acid

Standard CAS: 107910-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107910-31-6
Multi CAS
No
Molecular Formula
C4H7F2NO2
Molecular Weight
139.100000
Exact Mass
139.044485
SMILES
C(C(C(=O)O)N)C(F)F
InChI
InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)
InChIKey
VIUCNIMDPZQXAD-UHFFFAOYSA-N
Synonyms
2-amino-4,4-difluorobutanoic acid MFCD12807562 4,4-difluoro-2-aminobutyric acid (S)-2-Amino-4,4-difluoro-butyric acid SCHEMBL935887

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.23
TPSA
63.32

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
-2.2
Consensus LogP
-0.7
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.53

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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