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CAS 715-80-0 Ethanone, 2,2-difluoro-1-(1-naphthalenyl)- (9CI) molecular structure lightbox
CAS RN: 715-80-0

Ethanone, 2,2-difluoro-1-(1-naphthalenyl)- (9CI)

  • Product code: SSC-181103
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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: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 715-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

715-80-0 / 2,2-difluoro-1-naphthalen-1-ylethanone

Standard CAS: 715-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
715-80-0
Multi CAS
No
Molecular Formula
C12F2H8O
Molecular Weight
206.190000
Exact Mass
206.054321
InChI
InChI=1S/C12H8F2O/c13-12(14)11(15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12H
InChIKey
DIYZMHVWHBVURP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
54.28
TPSA
17.07

LogP / Solubility

WLOGP
3.29
MLOGP
2.89
XLogP3
3.7
Consensus LogP
3.29
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64

Drug-likeness / Medicinal Chemistry

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

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