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CAS 706-79-6 1,2-DICHLOROHEXAFLUOROCYCLOPENTENE molecular structure lightbox
CAS RN: 706-79-6

1,2-DICHLOROHEXAFLUOROCYCLOPENTENE

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260613 1g In stock Inquiry
Batchno.20250418 5g In stock Inquiry
  • Product code: starshine_CAS706-79-6
  • Purity/Analytical Methods: >99.0%
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706-79-6 / 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene

Standard CAS: 706-79-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
706-79-6
Multi CAS
No
Molecular Formula
C5CL2F6
Molecular Weight
244.950000
Exact Mass
243.928124
InChI
InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey
ABPBVCKGWWGZDP-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid; Boiling point = 90 deg C; Not miscible or difficult to mix in water
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.6
H-bond acceptors
6
Molar refractivity
33.57
TPSA
0.0000

LogP / Solubility

WLOGP
3.6
MLOGP
3.17
XLogP3
3.1
Consensus LogP
3.29
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-1.66

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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