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CAS 1550-50-1 N,N-Dimethyl-1,1,2,2-tetrafluoroethylamine molecular structure lightbox
CAS RN: 1550-50-1

N,N-Dimethyl-1,1,2,2-tetrafluoroethylamine

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250425 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS1550-50-1
  • Purity/Analytical Methods: >99.0%
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1550-50-1 / 1,1,2,2-tetrafluoro-N,N-dimethylethanamine

Standard CAS: 1550-50-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1550-50-1
Multi CAS
No
Molecular Formula
C4H7F4N
Molecular Weight
145.100000
Exact Mass
145.051462
SMILES
CN(C)C(C(F)F)(F)F
InChI
InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
InChIKey
VIRGYRZBWQFJGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
24.64
TPSA
3.24

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.9
Consensus LogP
1.51
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (95.1%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (95.1%): Fatal in contact with skin [Danger Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H330 (90.2%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501

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