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CAS 80768-55-4 1-Trifluoromethyl-1-cyclohexanol molecular structure lightbox
CAS RN: 80768-55-4

1-Trifluoromethyl-1-cyclohexanol

  • Product code: SSC-189435
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80768-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

80768-55-4 / 1-(trifluoromethyl)cyclohexan-1-ol

Standard CAS: 80768-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80768-55-4
Multi CAS
No
Molecular Formula
C7F3H11O
Molecular Weight
168.160000
Exact Mass
168.076199
InChI
InChI=1S/C7H11F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h11H,1-5H2
InChIKey
WUVULQQNELULBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.09
TPSA
20.23

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.3
Consensus LogP
2.17
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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