1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one

C8H12F3NO2 — CID 116587616

IUPAC1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
SMILESNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)2-1-7(13)5-3-14-4-6(5)12/h5-6H,1-4,12H2
InChIKeyFOGYSBIVWJTWSS-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.87
Rot. Bonds3

About 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one

1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 116587616) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
PubChem CID116587616
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
SMILESNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)2-1-7(13)5-3-14-4-6(5)12/h5-6H,1-4,12H2
InChIKeyFOGYSBIVWJTWSS-UHFFFAOYSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-Trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561467
4,4,4-Trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
CID 116561522
1-(4-Amino-3-methyloxolan-3-yl)-5,5,5-trifluoropentan-1-one
CID 116563179
1-(4-Amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116563237
1-(3-Aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116579702
1-(4-Aminooxolan-3-yl)-5,5,5-trifluoropentan-1-one
CID 116587558
4,4,4-Trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
1-[4-(Ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
CID 116588167
1-(4-Aminooxolan-3-yl)-2-methylpentan-1-one
CID 107890178
1-(4-Amino-3-methyloxolan-3-yl)-2-methylbutan-1-one
CID 116563023
1-(4-Amino-3-methyloxolan-3-yl)butan-1-one
CID 116563035
1-(4-Amino-3-methyloxolan-3-yl)-3-methylbutan-1-one
CID 116563038

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one (CID 116587616) is 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one is NC1COCC1C(=O)CCC(F)(F)F.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is FOGYSBIVWJTWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)2-1-7(13)5-3-14-4-6(5)12/h5-6H,1-4,12H2.
What are the key properties of 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 211.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116587616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).