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CAS 1024174-16-0 3-[4-(TRIFLUOROMETHYL)PHENYL]MORPHOLINE molecular structure lightbox
CAS RN: 1024174-16-0

3-[4-(TRIFLUOROMETHYL)PHENYL]MORPHOLINE

  • Product code: SSC-003693
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1024174-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1024174-16-0 / 3-[4-(trifluoromethyl)phenyl]morpholine

3-[4-(trifluoromethyl)phenyl]morpholine | 3-(4-(Trifluoromethyl)phenyl)morpholine | MFCD12406983

Standard CAS: 1024174-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1024174-16-0
Multi CAS
No
Molecular Formula
C11H12F3NO
Molecular Weight
231.210000
Exact Mass
231.087098
SMILES
C1COCC(N1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2
InChIKey
CKCJOQMDMYPVKX-UHFFFAOYSA-N
Synonyms
3-[4-(trifluoromethyl)phenyl]morpholine 3-(4-(Trifluoromethyl)phenyl)morpholine MFCD12406983 3-(4-Trifluoromethyl-phenyl)-morpholine SCHEMBL17525131

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.01
TPSA
21.26

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.8
Consensus LogP
2.09
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.45

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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