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CAS 334-68-9 1-FLUORODODECANE molecular structure lightbox
CAS RN: 334-68-9

1-FLUORODODECANE

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5 package records4 with current stock2 grade groups
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Batchno.20250302 1g In stock Inquiry
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  • Product code: starshine_CAS334-68-9
  • Purity/Analytical Methods: >99.0%
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334-68-9 / 1-fluorododecane

Standard CAS: 334-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
334-68-9
Multi CAS
No
Molecular Formula
C12FH25
Molecular Weight
188.320000
Exact Mass
188.194029
InChI
InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey
YHYBNVZCQIDLSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
57.82
TPSA
0.0000

LogP / Solubility

WLOGP
4.88
MLOGP
4.29
XLogP3
6.2
Consensus LogP
5.12
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.41

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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