2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

C14H26F3NO2 — CID 83032925

IUPAC2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCCOCC(F)(F)F)CCO1
InChIInChI=1S/C14H26F3NO2/c1-3-13(4-2)10-12(6-9-20-13)18-7-5-8-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyUACOBMPCSWNZCA-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.28
Rot. Bonds8

About 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine

2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (PubChem CID 83032925) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
PubChem CID83032925
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCCOCC(F)(F)F)CCO1
InChIInChI=1S/C14H26F3NO2/c1-3-13(4-2)10-12(6-9-20-13)18-7-5-8-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyUACOBMPCSWNZCA-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.28
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 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine (CID 83032925) is 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is CCC1(CC)CC(NCCCOCC(F)(F)F)CCO1.
What is the InChIKey of 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
The InChIKey is UACOBMPCSWNZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-3-13(4-2)10-12(6-9-20-13)18-7-5-8-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine?
2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine has a molecular weight of 297.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine is sourced from PubChem (CID 83032925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).