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CAS 1214372-71-0 1-(Difluoromethyl)-3-Iodobenzene molecular structure lightbox
CAS RN: 1214372-71-0

1-(Difluoromethyl)-3-Iodobenzene

  • Product code: SSC-023821
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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, 10g
  • 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 1214372-71-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

1214372-71-0 / 1-(difluoromethyl)-3-iodobenzene

Standard CAS: 1214372-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214372-71-0
Multi CAS
No
Molecular Formula
C7H5F2I
Molecular Weight
254.020000
Exact Mass
253.940400
SMILES
C1=CC(=CC(=C1)I)C(F)F
InChI
InChI=1S/C7H5F2I/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
InChIKey
HROHDLSABVNCEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.12
TPSA
0.0000

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-1.98

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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