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

C11H18F3NO2 — CID 116587884

IUPAC4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-2-5-15-9-7-17-6-8(9)10(16)3-4-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyDHDFBXJIZGDVFM-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.91
Rot. Bonds6

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

4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one (PubChem CID 116587884) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
PubChem CID116587884
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-2-5-15-9-7-17-6-8(9)10(16)3-4-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyDHDFBXJIZGDVFM-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-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)-4,4,4-trifluorobutan-1-one
CID 116563237
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
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 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one (CID 116587884) is 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one is CCCNC1COCC1C(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The InChIKey is DHDFBXJIZGDVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-5-15-9-7-17-6-8(9)10(16)3-4-11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one has a molecular weight of 253.26 g/mol, XLogP of 1.91, 6 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-(propylamino)oxolan-3-yl]butan-1-one is sourced from PubChem (CID 116587884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).