potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine

C7H15FKNO — CID 156860917

IUPACpotassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine
SMILES[CH2-]N(C)CCCOCCF.[K+]
InChIInChI=1S/C7H15FNO.K/c1-9(2)5-3-6-10-7-4-8;/h1,3-7H2,2H3;/q-1;+1
InChIKeyLCDHDLIJIIWRDA-UHFFFAOYSA-N
MW187.30 g/mol
LogP-1.91
Rot. Bonds6

About potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine

potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine (PubChem CID 156860917) has the molecular formula C7H15FKNO and a molecular weight of 187.30 g/mol. Its IUPAC name is potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine.

Molecular Properties

Compound Namepotassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine
PubChem CID156860917
Molecular FormulaC7H15FKNO
Molecular Weight187.30 g/mol
Exact Mass187.08
IUPAC Namepotassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine
SMILES[CH2-]N(C)CCCOCCF.[K+]
InChIInChI=1S/C7H15FNO.K/c1-9(2)5-3-6-10-7-4-8;/h1,3-7H2,2H3;/q-1;+1
InChIKeyLCDHDLIJIIWRDA-UHFFFAOYSA-N
XLogP-1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
3-ethoxy-N-fluoro-N-methylpropan-1-amine
CID 154509635
3-[3-Fluoropropyl(methyl)amino]propan-1-olate
CID 163742992
2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
CID 170601420
3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
CID 170601601
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
Potassium;carbanide;3-(dimethylamino)-2,2-difluoropropan-1-olate
CID 177033178
3-(2,2-Difluoroethoxy)propyl-methylazanide
CID 155624983
3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
CID 156860918
CID 59347745
CID 59347745

Frequently Asked Questions

What is the IUPAC name of potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine?
The IUPAC name of potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine (CID 156860917) is potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine.
What is the SMILES notation for potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine?
The canonical SMILES for potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine is [CH2-]N(C)CCCOCCF.[K+].
What is the InChIKey of potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine?
The InChIKey is LCDHDLIJIIWRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FNO.K/c1-9(2)5-3-6-10-7-4-8;/h1,3-7H2,2H3;/q-1;+1.
What are the key properties of potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine?
potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine has a molecular weight of 187.30 g/mol, XLogP of -1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(2-fluoroethoxy)-N-methanidyl-N-methylpropan-1-amine is sourced from PubChem (CID 156860917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).