3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine

C11H20F3NO — CID 63935675

IUPAC3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H20F3NO/c1-2-5-15-10(8-11(12,13)14)9-3-6-16-7-4-9/h9-10,15H,2-8H2,1H3
InChIKeyHZXYIPOBXHHZLL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine (PubChem CID 63935675) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine
PubChem CID63935675
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H20F3NO/c1-2-5-15-10(8-11(12,13)14)9-3-6-16-7-4-9/h9-10,15H,2-8H2,1H3
InChIKeyHZXYIPOBXHHZLL-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine (CID 63935675) is 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine?
The InChIKey is HZXYIPOBXHHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-5-15-10(8-11(12,13)14)9-3-6-16-7-4-9/h9-10,15H,2-8H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(oxan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63935675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).