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CAS 1783382-76-2 1-(2-(difluoromethyl)phenyl)ethanol molecular structure lightbox
CAS RN: 1783382-76-2

1-(2-(difluoromethyl)phenyl)ethanol

  • Product code: SSC-078839
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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 1783382-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1783382-76-2 / 1-[2-(difluoromethyl)phenyl]ethanol

Standard CAS: 1783382-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1783382-76-2
Multi CAS
No
Molecular Formula
C9H10F2O
Molecular Weight
172.170000
Exact Mass
172.069971
SMILES
CC(C1=CC=CC=C1C(F)F)O
InChI
InChI=1S/C9H10F2O/c1-6(12)7-4-2-3-5-8(7)9(10)11/h2-6,9,12H,1H3
InChIKey
ZFURWQCPSCYNTN-UHFFFAOYSA-N

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
42.03
TPSA
20.23

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
2.1
Consensus LogP
2.38
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-1.87

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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