1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one

C10H16F3NO2 — CID 116588167

IUPAC1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
SMILESCCNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-2-14-8-6-16-5-7(8)9(15)3-4-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyXWRIIWMOKPJTTD-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.52
Rot. Bonds5

About 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one

1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 116588167) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
PubChem CID116588167
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
SMILESCCNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-2-14-8-6-16-5-7(8)9(15)3-4-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyXWRIIWMOKPJTTD-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-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one (CID 116588167) is 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one is CCNC1COCC1C(=O)CCC(F)(F)F.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is XWRIIWMOKPJTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-14-8-6-16-5-7(8)9(15)3-4-10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one?
1-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-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-[4-(ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116588167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).