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CAS 1010097-82-1 O-(2,2-Difluoroethyl)hydroxylamine hydrochloride molecular structure lightbox
CAS RN: 1010097-82-1

O-(2,2-Difluoroethyl)hydroxylamine hydrochloride

  • Product code: SSC-001852
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1010097-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1010097-82-1 / O-(2,2-difluoroethyl)hydroxylamine;hydrochloride

O-(2,2-Difluoroethyl)hydroxylamine hydrochloride | MFCD13196690 | O-(2,2-difluoroethyl)hydroxylamine;hydrochloride

Standard CAS: 1010097-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1010097-82-1
Multi CAS
No
Molecular Formula
C2H6ClF2NO
Molecular Weight
133.520000
Exact Mass
133.010598
SMILES
C(C(F)F)ON.Cl
InChI
InChI=1S/C2H5F2NO.ClH/c3-2(4)1-6-5;/h2H,1,5H2;1H
InChIKey
ZIUYOJCOLYHLLG-UHFFFAOYSA-N
Synonyms
O-(2,2-Difluoroethyl)hydroxylamine hydrochloride MFCD13196690 O-(2,2-difluoroethyl)hydroxylamine;hydrochloride O-(2,2-Difluoroethyl)hydroxylamine HCl C2H6ClF2NO

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.39
TPSA
35.25

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.56
Consensus LogP
0.54
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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