N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine

C10H18FNO — CID 134594018

IUPACN-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine
SMILESC#CC(COC(C)F)CN(C)CC
InChIInChI=1S/C10H18FNO/c1-5-10(7-12(4)6-2)8-13-9(3)11/h1,9-10H,6-8H2,2-4H3
InChIKeyFIOWCCJCRFKGNF-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.52
Rot. Bonds6

About N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine

N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine (PubChem CID 134594018) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine
PubChem CID134594018
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine
SMILESC#CC(COC(C)F)CN(C)CC
InChIInChI=1S/C10H18FNO/c1-5-10(7-12(4)6-2)8-13-9(3)11/h1,9-10H,6-8H2,2-4H3
InChIKeyFIOWCCJCRFKGNF-UHFFFAOYSA-N
XLogP1.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine (CID 134594018) is N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine is C#CC(COC(C)F)CN(C)CC.
What is the InChIKey of N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine?
The InChIKey is FIOWCCJCRFKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-5-10(7-12(4)6-2)8-13-9(3)11/h1,9-10H,6-8H2,2-4H3.
What are the key properties of N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine?
N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-fluoroethoxymethyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 134594018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).