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

C12H20F3NO2 — CID 116587834

IUPAC5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
SMILESCCCNC1COCC1C(=O)CCCC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-2-6-16-10-8-18-7-9(10)11(17)4-3-5-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyVSOWNZFAHAZKRD-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.30
Rot. Bonds7

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

5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one (PubChem CID 116587834) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
PubChem CID116587834
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
SMILESCCCNC1COCC1C(=O)CCCC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-2-6-16-10-8-18-7-9(10)11(17)4-3-5-12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyVSOWNZFAHAZKRD-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
1-[4-(Ethylamino)oxolan-3-yl]-2-methylpentan-1-one
CID 107890185

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one (CID 116587834) is 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one is CCCNC1COCC1C(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
The InChIKey is VSOWNZFAHAZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-6-16-10-8-18-7-9(10)11(17)4-3-5-12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one?
5,5,5-trifluoro-1-[4-(propylamino)oxolan-3-yl]pentan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.30, 7 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-(propylamino)oxolan-3-yl]pentan-1-one is sourced from PubChem (CID 116587834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).