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CAS 18180-34-2 Isobutyl 1,1,2,2-tetrafluoroethyl ether molecular structure lightbox
CAS RN: 18180-34-2

Isobutyl 1,1,2,2-tetrafluoroethyl ether

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18180-34-2
  • Purity/Analytical Methods: >99.0%
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18180-34-2 / 2-methyl-1-(1,1,2,2-tetrafluoroethoxy)propane

Standard CAS: 18180-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18180-34-2
Multi CAS
No
Molecular Formula
C6H10F4O
Molecular Weight
174.140000
Exact Mass
174.066778
SMILES
CC(C)COC(C(F)F)(F)F
InChI
InChI=1S/C6H10F4O/c1-4(2)3-11-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKey
OBAYXRZHJPDDHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
31.74
TPSA
9.23

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
3
Consensus LogP
2.58
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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

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
1.5

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