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CAS 335-36-4 Perfluoro(2-butyltetrahydrofuran) (so called) molecular structure lightbox
CAS RN: 335-36-4

Perfluoro(2-butyltetrahydrofuran) (so called)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251218 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: ICTP0867
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335-36-4 / 2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

Standard CAS: 335-36-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
335-36-4
Multi CAS
Yes
Molecular Formula
C8F16O
Molecular Weight
416.060000
Exact Mass
415.969365
InChI
InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6
InChIKey
FYJQJMIEZVMYSD-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
40.66
TPSA
9.23

LogP / Solubility

WLOGP
5.01
MLOGP
4.44
XLogP3
5.4
Consensus LogP
4.95
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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