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CAS 2062-98-8 2-(HEPTAFLUOROPROPOXY)TETRAFLUOROPROPIONYL FLUORIDE molecular structure lightbox
CAS RN: 2062-98-8

2-(HEPTAFLUOROPROPOXY)TETRAFLUOROPROPIONYL FLUORIDE

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 1g In stock Shenzhen Inquiry
Batchno.20260605 25g Out of stock Inquiry
Batchno.20250111 5g Out of stock Inquiry
  • Product code: starshine_CAS2062-98-8
  • Purity/Analytical Methods: >99.0%
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2062-98-8 / 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride

Standard CAS: 2062-98-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2062-98-8
Multi CAS
No
Molecular Formula
C6F12O2
Molecular Weight
332.040000
Exact Mass
331.970667
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
InChIKey
BCLQALQSEBVVAD-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
33.04
TPSA
26.3

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
4.1
Consensus LogP
3.58
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

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
2

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