1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone

C11H18F3NO2 — CID 15422501

IUPAC1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone
SMILESCCN(CC)C1OCCCC1C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-3-15(4-2)10-8(6-5-7-17-10)9(16)11(12,13)14/h8,10H,3-7H2,1-2H3
InChIKeyIHUVNOHQEYAWMM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone

1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone (PubChem CID 15422501) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone
PubChem CID15422501
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone
SMILESCCN(CC)C1OCCCC1C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-3-15(4-2)10-8(6-5-7-17-10)9(16)11(12,13)14/h8,10H,3-7H2,1-2H3
InChIKeyIHUVNOHQEYAWMM-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone (CID 15422501) is 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone is CCN(CC)C1OCCCC1C(=O)C(F)(F)F.
What is the InChIKey of 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is IHUVNOHQEYAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-15(4-2)10-8(6-5-7-17-10)9(16)11(12,13)14/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone?
1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 253.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)oxan-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 15422501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).