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CAS 1182782-12-2 2-[methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol molecular structure lightbox
CAS RN: 1182782-12-2

2-[methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol

  • Product code: SSC-018068
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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 1182782-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1182782-12-2 / 2-[methyl(2,2,2-trifluoroethyl)amino]ethanol

2-[methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol | 2-(METHYL(2,2,2-TRIFLUOROETHYL)AMINO)ETHAN-1-OL | RefChem:461256

Standard CAS: 1182782-12-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1182782-12-2
Multi CAS
No
Molecular Formula
C5H10F3NO
Molecular Weight
157.130000
Exact Mass
157.071448
SMILES
CN(CCO)CC(F)(F)F
InChI
InChI=1S/C5H10F3NO/c1-9(2-3-10)4-5(6,7)8/h10H,2-4H2,1H3
InChIKey
YMHYJSJSUSFLMX-UHFFFAOYSA-N
Synonyms
2-[methyl(2,2,2-trifluoroethyl)amino]ethan-1-ol 2-(METHYL(2,2,2-TRIFLUOROETHYL)AMINO)ETHAN-1-OL RefChem:461256 849-354-5 2-[methyl(2,2,2-trifluoroethyl)amino]ethanol

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.64
TPSA
23.47

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.7
Consensus LogP
0.53
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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