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CAS 2192-55-4 2-(Pentafluorophenoxy)ethanol molecular structure lightbox
CAS RN: 2192-55-4

2-(Pentafluorophenoxy)ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTP1225
  • Purity/Analytical Methods: >96.0%(GC)
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2192-55-4 / 2-(2,3,4,5,6-pentafluorophenoxy)ethanol

Standard CAS: 2192-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2192-55-4
Multi CAS
No
Molecular Formula
C8H5F5O2
Molecular Weight
228.120000
Exact Mass
228.020970
SMILES
C(COC1=C(C(=C(C(=C1F)F)F)F)F)O
InChI
InChI=1S/C8H5F5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2
InChIKey
NPVVUYMVRISVGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.81
TPSA
29.46

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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