4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one

C9H14F3NO2 — CID 116561522

IUPAC4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
SMILESCNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13-7-5-15-4-6(7)8(14)2-3-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyUFTHLPCJQXMLEZ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.13
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one

4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one (PubChem CID 116561522) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
PubChem CID116561522
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one
SMILESCNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-13-7-5-15-4-6(7)8(14)2-3-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyUFTHLPCJQXMLEZ-UHFFFAOYSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 114225547
2-(3,3-Difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 114225578
5,5,5-Trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561467
1-(4-Amino-3-methyloxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116563237
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
5,5,5-Trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587834
4,4,4-Trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
1-[4-(Ethylamino)oxolan-3-yl]-5,5,5-trifluoropentan-1-one
CID 116588116
1-[4-(Ethylamino)oxolan-3-yl]-4,4,4-trifluorobutan-1-one
CID 116588167
2-Methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 107889955
2-Methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 107890182

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one (CID 116561522) is 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one is CNC1COCC1C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one?
The InChIKey is UFTHLPCJQXMLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13-7-5-15-4-6(7)8(14)2-3-9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(methylamino)oxolan-3-yl]butan-1-one is sourced from PubChem (CID 116561522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).