4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine

C11H19F6NO2 — CID 102723322

IUPAC4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO2/c1-2-19-7-4-3-5-18-6-8-20-9(10(12,13)14)11(15,16)17/h9,18H,2-8H2,1H3
InChIKeySYIHSXNCSQEPDK-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.90
Rot. Bonds10

About 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine

4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine (PubChem CID 102723322) has the molecular formula C11H19F6NO2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine
PubChem CID102723322
Molecular FormulaC11H19F6NO2
Molecular Weight311.27 g/mol
Exact Mass311.13
IUPAC Name4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine
SMILESCCOCCCCNCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO2/c1-2-19-7-4-3-5-18-6-8-20-9(10(12,13)14)11(15,16)17/h9,18H,2-8H2,1H3
InChIKeySYIHSXNCSQEPDK-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine (CID 102723322) is 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine is CCOCCCCNCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine?
The InChIKey is SYIHSXNCSQEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO2/c1-2-19-7-4-3-5-18-6-8-20-9(10(12,13)14)11(15,16)17/h9,18H,2-8H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine?
4-ethoxy-N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 2.90, 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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]butan-1-amine is sourced from PubChem (CID 102723322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).