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CAS 1138445-14-3 1-(1,1-Difluoroethyl)-2-fluorobenzene molecular structure lightbox
CAS RN: 1138445-14-3

1-(1,1-Difluoroethyl)-2-fluorobenzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 5g In stock Shanghai Inquiry
  • Product code: SSC-013835
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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: 5g
  • Available purity: ＞97%
  • 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 1138445-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1138445-14-3 / 1-(1,1-difluoroethyl)-2-fluorobenzene

1-(1,1-DIFLUOROETHYL)-2-FLUOROBENZENE | Benzene, 1-(1,1-difluoroethyl)-2-fluoro- | MFCD11845814

Standard CAS: 1138445-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1138445-14-3
Multi CAS
No
Molecular Formula
C8H7F3
Molecular Weight
160.140000
Exact Mass
160.049985
SMILES
CC(C1=CC=CC=C1F)(F)F
InChI
InChI=1S/C8H7F3/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey
CMYVOOREJIMEGA-UHFFFAOYSA-N
Synonyms
1-(1,1-DIFLUOROETHYL)-2-FLUOROBENZENE Benzene, 1-(1,1-difluoroethyl)-2-fluoro- MFCD11845814 SCHEMBL9281500 SCHEMBL11415516

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.97
TPSA
0.0000

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-1.61

Drug-likeness / Medicinal Chemistry

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

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