N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine

C11H20F3NO2 — CID 82791643

IUPACN-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESFC(F)(F)CCCOCCNCC1CCOC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)3-1-5-16-7-4-15-8-10-2-6-17-9-10/h10,15H,1-9H2
InChIKeyMUJCNGRXDLZYEH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds8

About N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine

N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine (PubChem CID 82791643) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
PubChem CID82791643
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESFC(F)(F)CCCOCCNCC1CCOC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)3-1-5-16-7-4-15-8-10-2-6-17-9-10/h10,15H,1-9H2
InChIKeyMUJCNGRXDLZYEH-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
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 N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine (CID 82791643) is N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine is FC(F)(F)CCCOCCNCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The InChIKey is MUJCNGRXDLZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)3-1-5-16-7-4-15-8-10-2-6-17-9-10/h10,15H,1-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine is sourced from PubChem (CID 82791643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).