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CAS 921602-77-9 3,3-DIFLUOROCYCLOHEXANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 921602-77-9

3,3-DIFLUOROCYCLOHEXANAMINE HYDROCHLORIDE

  • Product code: SSC-205725
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 921602-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

921602-77-9 / 3,3-difluorocyclohexan-1-amine;hydrochloride

Standard CAS: 921602-77-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
921602-77-9
Multi CAS
Yes
Molecular Formula
C6H12CLF2N
Molecular Weight
171.610000
Exact Mass
171.062633
InChI
InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-2-5(9)4-6;/h5H,1-4,9H2;1H
InChIKey
CYAZLMHIPJPQQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.64
TPSA
26.02

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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