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CAS 1079656-75-9 (R)-1-(3-Fluoro-4-(trifluoromethyl)phenyl)ethanamine molecular structure lightbox
CAS RN: 1079656-75-9

(R)-1-(3-Fluoro-4-(trifluoromethyl)phenyl)ethanamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009255
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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: ＞97%
  • 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 1079656-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1079656-75-9 / (1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine

(r)-1-(3-fluoro-4-(trifluoromethyl)phenyl)ethanamine | MFCD06762190 | (1R)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE

Standard CAS: 1079656-75-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1079656-75-9
Multi CAS
Yes
Molecular Formula
C9H9F4N
Molecular Weight
207.170000
Exact Mass
207.067112
SMILES
C[C@H](C1=CC(=C(C=C1)C(F)(F)F)F)N
InChI
InChI=1S/C9H9F4N/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1
InChIKey
JGOIWTAAYYAMKP-RXMQYKEDSA-N
Synonyms
(r)-1-(3-fluoro-4-(trifluoromethyl)phenyl)ethanamine MFCD06762190 (1R)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE (1R)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHANAMINE (R)-1-(3-Fluoro-4-(trifluoromethyl)phenyl)ethan-1-amine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44
TPSA
26.02

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.2
Consensus LogP
2.53
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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