1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one

C9H14F3NO2 — CID 116563237

IUPAC1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one
SMILESCC1(C(=O)CCC(F)(F)F)COCC1N
InChIInChI=1S/C9H14F3NO2/c1-8(5-15-4-6(8)13)7(14)2-3-9(10,11)12/h6H,2-5,13H2,1H3
InChIKeyTZOSQSKWLFXVFF-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.26
Rot. Bonds3

About 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one

1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 116563237) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one
PubChem CID116563237
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one
SMILESCC1(C(=O)CCC(F)(F)F)COCC1N
InChIInChI=1S/C9H14F3NO2/c1-8(5-15-4-6(8)13)7(14)2-3-9(10,11)12/h6H,2-5,13H2,1H3
InChIKeyTZOSQSKWLFXVFF-UHFFFAOYSA-N
XLogP1.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-Aminooxolan-3-yl)-5,5,5-trifluoropentan-1-one
CID 116587558
1-(4-Aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116587616
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-Amino-3-methyloxolan-3-yl)-2-methylpentan-1-one
CID 107889967
1-(4-Amino-3-methyloxolan-3-yl)decan-1-one
CID 113537148
1-(4-Amino-3-methyloxolan-3-yl)but-3-yn-1-one
CID 116562980
1-(4-Amino-3-methyloxolan-3-yl)-2-methylpropan-1-one
CID 116562981
1-(4-Amino-3-methyloxolan-3-yl)nonan-1-one
CID 116562995
1-(4-Amino-3-methyloxolan-3-yl)propan-1-one
CID 116562998

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one (CID 116563237) is 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one is CC1(C(=O)CCC(F)(F)F)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is TZOSQSKWLFXVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(5-15-4-6(8)13)7(14)2-3-9(10,11)12/h6H,2-5,13H2,1H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one?
1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116563237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).