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CAS 461-52-9 3,3-difluoropropan-1-ol molecular structure lightbox
CAS RN: 461-52-9

3,3-difluoropropan-1-ol

  • Product code: SSC-153652
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 0.1g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 461-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
0.1g >98% 2 In Stock Shenzhen Inquiry

461-52-9 / 3,3-difluoropropan-1-ol

Standard CAS: 461-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
461-52-9
Multi CAS
No
Molecular Formula
C3F2H6O
Molecular Weight
96.080000
Exact Mass
96.038671
InChI
InChI=1S/C3H6F2O/c4-3(5)1-2-6/h3,6H,1-2H2
InChIKey
NKLMUTXYDLKTQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.71
TPSA
20.23

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.8
Consensus LogP
0.66
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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