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CAS 18207-47-1 Ethanone, 2,2,2-trifluoro-1-(2-furanyl)- (9CI) molecular structure lightbox
CAS RN: 18207-47-1

Ethanone, 2,2,2-trifluoro-1-(2-furanyl)- (9CI)

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260411 1g In stock Shanghai Inquiry
Batchno.20260622 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251125 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS18207-47-1
  • Purity/Analytical Methods: >99.0%
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18207-47-1 / 2,2,2-trifluoro-1-(furan-2-yl)ethanone

Standard CAS: 18207-47-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18207-47-1
Multi CAS
No
Molecular Formula
C6H3F3O2
Molecular Weight
164.080000
Exact Mass
164.008514
SMILES
C1=COC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C6H3F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3H
InChIKey
MAZDPKNERLXXOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
29.09
TPSA
30.21

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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