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CAS 1213540-18-1 (1R)-1-[3-(DIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure lightbox
CAS RN: 1213540-18-1

(1R)-1-[3-(DIFLUOROMETHYL)PHENYL]ETHYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 1g Out of stock 15 business days Inquiry
  • Product code: SSC-023397
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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: 0.25g
  • 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 1213540-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1213540-18-1 / (1R)-1-[3-(difluoromethyl)phenyl]ethanamine

(R)-1-(3-(Difluoromethyl)phenyl)ethan-1-amine | MFCD09414828 | (1R)-1-[3-(difluoromethyl)phenyl]ethan-1-amine

Standard CAS: 1213540-18-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213540-18-1
Multi CAS
Yes
Molecular Formula
C9H11F2N
Molecular Weight
171.190000
Exact Mass
171.085956
SMILES
C[C@H](C1=CC(=CC=C1)C(F)F)N
InChI
InChI=1S/C9H11F2N/c1-6(12)7-3-2-4-8(5-7)9(10)11/h2-6,9H,12H2,1H3/t6-/m1/s1
InChIKey
FJDSZADRDSXBSE-ZCFIWIBFSA-N
Synonyms
(R)-1-(3-(Difluoromethyl)phenyl)ethan-1-amine MFCD09414828 (1R)-1-[3-(difluoromethyl)phenyl]ethan-1-amine (1R)-1-[3-(DIFLUOROMETHYL)PHENYL]ETHYLAMINE SCHEMBL23520554

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44
TPSA
26.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
1.8
Consensus LogP
2.25
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-1.89

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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