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CAS 120747-41-3 9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL molecular structure lightbox
CAS RN: 120747-41-3

9-TRIFLUOROMETHYL-9H-FLUOREN-9-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-021974
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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: ≥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 120747-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

120747-41-3 / 9-(trifluoromethyl)fluoren-9-ol

9-(trifluoromethyl)-9H-fluoren-9-ol | DTXSID90375335 | RefChem:312897

Standard CAS: 120747-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120747-41-3
Multi CAS
No
Molecular Formula
C14H9F3O
Molecular Weight
250.210000
Exact Mass
250.060549
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(F)(F)F)O
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13(18)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,18H
InChIKey
QUWFPBFDQYCMED-UHFFFAOYSA-N
Synonyms
9-(trifluoromethyl)-9H-fluoren-9-ol DTXSID90375335 RefChem:312897 DTXCID10326364 9-(trifluoromethyl)fluoren-9-ol

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.93
TPSA
20.23

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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