2,2,2-trifluoro-1-(oxan-3-yl)ethanamine

C7H12F3NO — CID 63896810

IUPAC2,2,2-trifluoro-1-(oxan-3-yl)ethanamine
SMILESNC(C1CCCOC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h5-6H,1-4,11H2
InChIKeyYXTAPHVTDKXUOJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds1

About 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine

2,2,2-trifluoro-1-(oxan-3-yl)ethanamine (PubChem CID 63896810) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxan-3-yl)ethanamine
PubChem CID63896810
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2,2,2-trifluoro-1-(oxan-3-yl)ethanamine
SMILESNC(C1CCCOC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h5-6H,1-4,11H2
InChIKeyYXTAPHVTDKXUOJ-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine (CID 63896810) is 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine is NC(C1CCCOC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine?
The InChIKey is YXTAPHVTDKXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h5-6H,1-4,11H2.
What are the key properties of 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine?
2,2,2-trifluoro-1-(oxan-3-yl)ethanamine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 63896810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).