2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone

C13H21F2NO2 — CID 114225547

IUPAC2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCNC1COCC1C(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c1-16-11-8-18-7-10(11)12(17)5-9-3-2-4-13(14,15)6-9/h9-11,16H,2-8H2,1H3
InChIKeySPWXYKPTHFUSFA-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.01
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone

2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone (PubChem CID 114225547) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
PubChem CID114225547
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
SMILESCNC1COCC1C(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c1-16-11-8-18-7-10(11)12(17)5-9-3-2-4-13(14,15)6-9/h9-11,16H,2-8H2,1H3
InChIKeySPWXYKPTHFUSFA-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone 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-methoxypyrrolidin-2-yl)ethanone
CID 114225546
2-(3,3-Difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 114225578
1-(3,3-Difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one
CID 114225587
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
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
1-[4-(Ethylamino)oxolan-3-yl]-2-methylpentan-1-one
CID 107890185

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone (CID 114225547) is 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone is CNC1COCC1C(=O)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
The InChIKey is SPWXYKPTHFUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-16-11-8-18-7-10(11)12(17)5-9-3-2-4-13(14,15)6-9/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone?
2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone has a molecular weight of 261.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 114225547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).