4-[2-(1,1-difluoroethyl)phenoxy]piperidine

C13H17F2NO — CID 115044136

IUPAC4-[2-(1,1-difluoroethyl)phenoxy]piperidine
SMILESCC(F)(F)c1ccccc1OC1CCNCC1
InChIInChI=1S/C13H17F2NO/c1-13(14,15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10,16H,6-9H2,1H3
InChIKeyIDCJYXJMRWOGCK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.93
Rot. Bonds3

About 4-[2-(1,1-difluoroethyl)phenoxy]piperidine

4-[2-(1,1-difluoroethyl)phenoxy]piperidine (PubChem CID 115044136) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[2-(1,1-difluoroethyl)phenoxy]piperidine.

Molecular Properties

Compound Name4-[2-(1,1-difluoroethyl)phenoxy]piperidine
PubChem CID115044136
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-[2-(1,1-difluoroethyl)phenoxy]piperidine
SMILESCC(F)(F)c1ccccc1OC1CCNCC1
InChIInChI=1S/C13H17F2NO/c1-13(14,15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10,16H,6-9H2,1H3
InChIKeyIDCJYXJMRWOGCK-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(1,1-difluoroethyl)phenoxy]piperidine 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

4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
2-(2-cyclopropyloxyphenyl)propan-2-ol
CID 84664133
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
4-[2-(difluoromethylsulfonyl)phenoxy]piperidine
CID 62341872
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
4-piperidin-4-yloxy-3-(trifluoromethyl)pyridine;hydrochloride
CID 166104292
4-piperidin-4-yloxy-3-(trifluoromethyl)benzonitrile
CID 90751429
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
4-(2-chloro-3-fluorophenoxy)piperidine
CID 154662449

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-difluoroethyl)phenoxy]piperidine?
The IUPAC name of 4-[2-(1,1-difluoroethyl)phenoxy]piperidine (CID 115044136) is 4-[2-(1,1-difluoroethyl)phenoxy]piperidine.
What is the SMILES notation for 4-[2-(1,1-difluoroethyl)phenoxy]piperidine?
The canonical SMILES for 4-[2-(1,1-difluoroethyl)phenoxy]piperidine is CC(F)(F)c1ccccc1OC1CCNCC1.
What is the InChIKey of 4-[2-(1,1-difluoroethyl)phenoxy]piperidine?
The InChIKey is IDCJYXJMRWOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(14,15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 4-[2-(1,1-difluoroethyl)phenoxy]piperidine?
4-[2-(1,1-difluoroethyl)phenoxy]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-difluoroethyl)phenoxy]piperidine is sourced from PubChem (CID 115044136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).