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: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1054314-53-2 / 2-(4,4-difluorocyclohexyl)ethanamine
4,4-DIFLUOROCYCLOHEXANEETHANAMINE | 2-(4,4-DIFLUOROCYCLOHEXYL)ETHANAMINE | MFCD13189567
Basic Information
CAS
1054314-53-2
Multi CAS
Yes
Molecular Formula
C8H15F2N
Molecular Weight
163.210000
Exact Mass
163.117256
SMILES
C1CC(CCC1CCN)(F)F
InChI
InChI=1S/C8H15F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-6,11H2
InChIKey
GNHDMWBANSWSNL-UHFFFAOYSA-N
Synonyms
4,4-DIFLUOROCYCLOHEXANEETHANAMINE
2-(4,4-DIFLUOROCYCLOHEXYL)ETHANAMINE
MFCD13189567
2-(4,4-DIFLUOROCYCLOHEXYL)ETHAN-1-AMINE
SCHEMBL19555539
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.58
TPSA
26.02
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1054451-31-8 “Boronic acid, B,B’-[(1,2-diphenyl-1,2-ethenediyl)di-4,1-phenylene]bis-4,4′-(1,2-Diphenyl-1,2-ethenylene)diphenylboronic acid” molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
“Boronic acid, B,B’-[(1,2-diphenyl-1,2-ethenediyl)di-4,1-phenylene]bis-4,4′-(1,2-Diphenyl-1,2-ethenylene)diphenylboronic acid”
- CAS RN: 1054451-31-8
- Product Code: SSC-007184
-
-
1-(4-Bromobenzyl)-3-[(tert-butyldimethylsilyl)oxy]azetidine
- CAS RN: 1054483-36-1
- Product Code: SSC-007187
-
2-HYDROXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
- CAS RN: 1054483-78-1
- Product Code: SSC-007188
-
-
BenzaMide, 4-[[2-[3,5-bis(trifluoroMethyl)phenyl]-4,5-bis(4-Methoxyphenyl)-1H-iMidazol-1-yl]Methyl]-
- CAS RN: 1054543-47-3
- Product Code: SSC-007192
![CAS 1054451-31-8 “Boronic acid, B,B’-[(1,2-diphenyl-1,2-ethenediyl)di-4,1-phenylene]bis-4,4′-(1,2-Diphenyl-1,2-ethenylene)diphenylboronic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1054451-31-8.gif)
![CAS 1054483-36-1 1-(4-Bromobenzyl)-3-[(tert-butyldimethylsilyl)oxy]azetidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1054483-36-1.gif)
![CAS 1054543-47-3 BenzaMide, 4-[[2-[3,5-bis(trifluoroMethyl)phenyl]-4,5-bis(4-Methoxyphenyl)-1H-iMidazol-1-yl]Methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1054543-47-3.gif)