5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one

C10H16F3NO2 — CID 116561467

IUPAC5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
SMILESCNC1COCC1C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-14-8-6-16-5-7(8)9(15)3-2-4-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyIXRQPSFWKBGVCY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.52
Rot. Bonds5

About 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one

5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one (PubChem CID 116561467) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
PubChem CID116561467
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
SMILESCNC1COCC1C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-14-8-6-16-5-7(8)9(15)3-2-4-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyIXRQPSFWKBGVCY-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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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
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
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
1-(4-Aminooxolan-3-yl)-2-methylpentan-1-one
CID 107890178

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one (CID 116561467) is 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one is CNC1COCC1C(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
The InChIKey is IXRQPSFWKBGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14-8-6-16-5-7(8)9(15)3-2-4-10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one?
5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-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 5,5,5-trifluoro-1-[4-(methylamino)oxolan-3-yl]pentan-1-one is sourced from PubChem (CID 116561467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).