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CAS 207291-85-8 2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL molecular structure lightbox
CAS RN: 207291-85-8

2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 250mg In stock Shanghai Inquiry
  • Product code: SSC-097605
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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 207291-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

207291-85-8 / 2-fluoro-3-(trifluoromethyl)phenol

Standard CAS: 207291-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207291-85-8
Multi CAS
No
Molecular Formula
C7H4F4O
Molecular Weight
180.100000
Exact Mass
180.019827
SMILES
C1=CC(=C(C(=C1)O)F)C(F)(F)F
InChI
InChI=1S/C7H4F4O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChIKey
DOICLFHNNMXINV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.07
TPSA
20.23

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.01

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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