2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H20F3NO2 — CID 55092895

IUPAC2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC1CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-9(6-15-8-11(12,13)14)17-7-10-2-4-16-5-3-10/h9-10,15H,2-8H2,1H3
InChIKeyBJFCHIDJYOVECC-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds6

About 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55092895) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55092895
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC1CCOCC1
InChIInChI=1S/C11H20F3NO2/c1-9(6-15-8-11(12,13)14)17-7-10-2-4-16-5-3-10/h9-10,15H,2-8H2,1H3
InChIKeyBJFCHIDJYOVECC-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1,1,1-Trifluoro-2-(oxan-4-ylmethoxy)pentan-3-amine
CID 62382402
4,4,4-Trifluoro-3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382403
3,3,3-Trifluoro-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383321
2-(3-methylbutoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565785
2-(4-methylpentan-2-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572348
2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine
CID 62584029
2-(oxan-4-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62584607
2-(oxolan-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62584615
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
2-(4-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598827
2-ethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62718823
N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63712741

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55092895) is 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BJFCHIDJYOVECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(6-15-8-11(12,13)14)17-7-10-2-4-16-5-3-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55092895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).