1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine

C13H26F3NO2 — CID 167191633

IUPAC1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
SMILESCCCCCOCCOCCNC(CC)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-5-6-8-18-10-11-19-9-7-17-12(4-2)13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyRACSUQOUVGZVJA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds12

About 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine

1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine (PubChem CID 167191633) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
PubChem CID167191633
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Name1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
SMILESCCCCCOCCOCCNC(CC)C(F)(F)F
InChIInChI=1S/C13H26F3NO2/c1-3-5-6-8-18-10-11-19-9-7-17-12(4-2)13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyRACSUQOUVGZVJA-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
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 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine (CID 167191633) is 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine is CCCCCOCCOCCNC(CC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
The InChIKey is RACSUQOUVGZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-3-5-6-8-18-10-11-19-9-7-17-12(4-2)13(14,15)16/h12,17H,3-11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine?
1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 167191633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).