4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine

C11H22F3NO2 — CID 66276196

IUPAC4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-16-8-5-4-6-15-7-9-17-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyQZGYHDUXFYNMHL-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds10

About 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine

4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine (PubChem CID 66276196) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
PubChem CID66276196
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-3-16-8-5-4-6-15-7-9-17-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyQZGYHDUXFYNMHL-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
CID 66276197
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]hexan-1-amine
CID 66276841
N-(2-butan-2-yloxyethyl)-4-ethoxybutan-1-amine
CID 62583063
4-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]butan-1-amine
CID 55088632
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
7-ethoxy-N-propylheptan-1-amine
CID 163393813
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
CID 66274668

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine (CID 66276196) is 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine is CCOCCCCNCCOC(C)C(F)(F)F.
What is the InChIKey of 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
The InChIKey is QZGYHDUXFYNMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-16-8-5-4-6-15-7-9-17-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine?
4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine is sourced from PubChem (CID 66276196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).