Diisopropylethylamine trihydrofluoride

C8H22F3NCAS 131600-43-6189.27 g/mol

Open in Covalent MOL file
NHFHFHF
Tertiary amine

Properties

Molecular formula
C8H22F3N
Molar mass
189.27 g/mol
Exact mass
189.1704 Da
logP
2.58Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
131600-43-6
SMILES
CCN(C(C)C)C(C)C.F.F.F
InChIKey
AJRRXKJZYYBJPY-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N.3FH/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;3*1H

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Work with Diisopropylethylamine trihydrofluoride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N,N-Diisopropylethylamine7087-68-5Free base

Similar compounds

N,N-Diethylethanamine trihydrofluoride73602-61-645 % similar N,N-Diisopropylaminoethanol96-80-042 % similar N,N-Diisopropylethylenediamine121-05-136 % similar N,N-Dimethylethylamine598-56-133 % similar 2-Chloroethyldiisopropylammonium chloride4261-68-132 % similar 1-(2-Diisopropylaminoethyl)piperazine59955-93-031 % similar Triethylamine121-44-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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