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

C11H20F3NO2 — CID 62565790

IUPAC2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC1CCCCO1
InChIInChI=1S/C11H20F3NO2/c1-9(6-15-8-11(12,13)14)17-7-10-4-2-3-5-16-10/h9-10,15H,2-8H2,1H3
InChIKeyRZCQGHIXAOJTRN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds6

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

2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62565790) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62565790
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OCC1CCCCO1
InChIInChI=1S/C11H20F3NO2/c1-9(6-15-8-11(12,13)14)17-7-10-4-2-3-5-16-10/h9-10,15H,2-8H2,1H3
InChIKeyRZCQGHIXAOJTRN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62565790) is 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is RZCQGHIXAOJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(6-15-8-11(12,13)14)17-7-10-4-2-3-5-16-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62565790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).