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CAS 15948-70-6 1-(Perfluorophenyl)prop-1-ene, 1-(Pentafluorophenyl)prop-1-ene molecular structure lightbox
CAS RN: 15948-70-6

1-(Perfluorophenyl)prop-1-ene, 1-(Pentafluorophenyl)prop-1-ene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS15948-70-6
  • Purity/Analytical Methods: >99.0%
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15948-70-6 / 1,2,3,4,5-pentafluoro-6-[(E)-prop-1-enyl]benzene

Standard CAS: 15948-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15948-70-6
Multi CAS
No
Molecular Formula
C9H5F5
Molecular Weight
208.130000
Exact Mass
208.031141
SMILES
C/C=C/C1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H,1H3/b3-2+
InChIKey
ARAOLTCZMIFYMK-NSCUHMNNSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
40.94
TPSA
0.0000

LogP / Solubility

WLOGP
3.42
MLOGP
3.01
XLogP3
3.4
Consensus LogP
3.28
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-1.56

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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