1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

C10H16F3NO2 — CID 116588637

IUPAC1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESO=C(CNCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-14-6-9(15)5-8-1-3-16-4-2-8/h8,14H,1-7H2
InChIKeyXIYDUGHIANIXPB-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.52
Rot. Bonds5

About 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (PubChem CID 116588637) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
PubChem CID116588637
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESO=C(CNCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-14-6-9(15)5-8-1-3-16-4-2-8/h8,14H,1-7H2
InChIKeyXIYDUGHIANIXPB-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The IUPAC name of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (CID 116588637) is 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.
What is the SMILES notation for 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The canonical SMILES for 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is O=C(CNCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The InChIKey is XIYDUGHIANIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-14-6-9(15)5-8-1-3-16-4-2-8/h8,14H,1-7H2.
What are the key properties of 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one has a molecular weight of 239.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is sourced from PubChem (CID 116588637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).