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CAS 112777-69-2 (R)-1-(4-TRIFLUOROMETHYLPHENYL)-1-PROPANOL molecular structure lightbox
CAS RN: 112777-69-2

(R)-1-(4-TRIFLUOROMETHYLPHENYL)-1-PROPANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013083
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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 112777-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

112777-69-2 / (1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol

1-[4-(trifluoromethyl)phenyl]propan-1-ol | 1-(4-(trifluoromethyl)phenyl)propan-1-ol | DTXSID00415655

Standard CAS: 112777-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112777-69-2
Multi CAS
Yes
Molecular Formula
C10H11F3O
Molecular Weight
204.190000
Exact Mass
204.076199
SMILES
CC[C@H](C1=CC=C(C=C1)C(F)(F)F)O
InChI
InChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3/t9-/m1/s1
InChIKey
DSPWVWRWAPFFNC-SECBINFHSA-N
Synonyms
1-[4-(trifluoromethyl)phenyl]propan-1-ol 1-(4-(trifluoromethyl)phenyl)propan-1-ol DTXSID00415655 RefChem:224757 DTXCID70366504

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.69
TPSA
20.23

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.91
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.73

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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