4,4-difluoro-1-methylpiperidine;2-ethoxypropane

C11H23F2NO — CID 168995938

IUPAC4,4-difluoro-1-methylpiperidine;2-ethoxypropane
SMILESCCOC(C)C.CN1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N.C5H12O/c1-9-4-2-6(7,8)3-5-9;1-4-6-5(2)3/h2-5H2,1H3;5H,4H2,1-3H3
InChIKeyIQEXJTKVFYJHCF-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.78
Rot. Bonds2

About 4,4-difluoro-1-methylpiperidine;2-ethoxypropane

4,4-difluoro-1-methylpiperidine;2-ethoxypropane (PubChem CID 168995938) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;2-ethoxypropane.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;2-ethoxypropane
PubChem CID168995938
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name4,4-difluoro-1-methylpiperidine;2-ethoxypropane
SMILESCCOC(C)C.CN1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2N.C5H12O/c1-9-4-2-6(7,8)3-5-9;1-4-6-5(2)3/h2-5H2,1H3;5H,4H2,1-3H3
InChIKeyIQEXJTKVFYJHCF-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-1-methylpiperidine;2-ethoxypropane 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

1-[Ethoxy(difluoro)methyl]piperidine
CID 18721519
1-Methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 18722957
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-fluoropiperidine
CID 18725559
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)piperidine
CID 18725560
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1-methoxypropyl)piperidine
CID 22292469
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(3-methoxypropyl)piperidine
CID 57272360
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-(3-Fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364950
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;2-ethoxypropane?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;2-ethoxypropane (CID 168995938) is 4,4-difluoro-1-methylpiperidine;2-ethoxypropane.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;2-ethoxypropane?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;2-ethoxypropane is CCOC(C)C.CN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;2-ethoxypropane?
The InChIKey is IQEXJTKVFYJHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C5H12O/c1-9-4-2-6(7,8)3-5-9;1-4-6-5(2)3/h2-5H2,1H3;5H,4H2,1-3H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine;2-ethoxypropane?
4,4-difluoro-1-methylpiperidine;2-ethoxypropane has a molecular weight of 223.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine;2-ethoxypropane is sourced from PubChem (CID 168995938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).