[email protected]
CAS 1022154-50-2 3,3-difluoro-2,2-dimethylpropanoic acid molecular structure lightbox
CAS RN: 1022154-50-2

3,3-difluoro-2,2-dimethylpropanoic acid

  • Product code: SSC-003510
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1022154-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1022154-50-2 / 3,3-difluoro-2,2-dimethylpropanoic acid

3,3-difluoro-2,2-dimethylpropanoic acid | RefChem:485297 | 815-912-1

Standard CAS: 1022154-50-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1022154-50-2
Multi CAS
No
Molecular Formula
C5H8F2O2
Molecular Weight
138.110000
Exact Mass
138.049236
SMILES
CC(C)(C(F)F)C(=O)O
InChI
InChI=1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9)
InChIKey
CJUCPGKPFFVMPL-UHFFFAOYSA-N
Synonyms
3,3-difluoro-2,2-dimethylpropanoic acid RefChem:485297 815-912-1 MFCD19231629 SCHEMBL10411794

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.42
TPSA
37.3

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us