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CAS 760958-13-2 4-Difluoromethylpiperidine molecular structure lightbox
CAS RN: 760958-13-2

4-Difluoromethylpiperidine

  • Product code: SSC-185541
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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 760958-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

760958-13-2 / 4-(difluoromethyl)piperidine

Standard CAS: 760958-13-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
760958-13-2
Multi CAS
Yes
Molecular Formula
C6F2H11N
Molecular Weight
135.150000
Exact Mass
135.085956
InChI
InChI=1S/C6H11F2N/c7-6(8)5-1-3-9-4-2-5/h5-6,9H,1-4H2
InChIKey
DOZRCMTUKBBOSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.6
TPSA
12.03

LogP / Solubility

WLOGP
1.25
MLOGP
1.09
XLogP3
1.4
Consensus LogP
1.25
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.66

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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