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CAS 15290-77-4 1,1,2,2,3,3,4-Heptafluorocyclopentane molecular structure lightbox
CAS RN: 15290-77-4

1,1,2,2,3,3,4-Heptafluorocyclopentane

  • Product code: SSC-062563
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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: 25g
  • 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 15290-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

15290-77-4 / 1,1,2,2,3,3,4-heptafluorocyclopentane

Standard CAS: 15290-77-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15290-77-4
Multi CAS
No
Molecular Formula
C5H3F7
Molecular Weight
196.070000
Exact Mass
196.012297
SMILES
C1C(C(C(C1(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKey
IDBYQQQHBYGLEQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
7
Molar refractivity
24.35
TPSA
0.0000

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H332 (10.5%): Harmful if inhaled [Warning Acute toxicity, inhalation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501 P261, P271, P273, P304+P340, P317, and P501

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