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CAS 1261647-51-1 1-fluoro-3-(difluoromethyl)-2-iodobenzene molecular structure lightbox
CAS RN: 1261647-51-1

1-fluoro-3-(difluoromethyl)-2-iodobenzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260325 50mg Out of stock Inquiry
  • Product code: SSC-032756
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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: 0.25g
  • 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 1261647-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1261647-51-1 / 1-(difluoromethyl)-3-fluoro-2-iodobenzene

Standard CAS: 1261647-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261647-51-1
Multi CAS
No
Molecular Formula
C7H4F3I
Molecular Weight
272.010000
Exact Mass
271.930980
SMILES
C1=CC(=C(C(=C1)F)I)C(F)F
InChI
InChI=1S/C7H4F3I/c8-5-3-1-2-4(6(5)11)7(9)10/h1-3,7H
InChIKey
PSZURVRASXVMPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.07
TPSA
0.0000

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.3
Consensus LogP
3.21
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly 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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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