2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine

C13H15F4N — CID 116840282

IUPAC2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
SMILESFc1ccc(C(F)(F)CC2CCCCN2)c(F)c1
InChIInChI=1S/C13H15F4N/c14-9-4-5-11(12(15)7-9)13(16,17)8-10-3-1-2-6-18-10/h4-5,7,10,18H,1-3,6,8H2
InChIKeyNVYOYRPZZCRSHG-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.59
Rot. Bonds3

About 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine

2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine (PubChem CID 116840282) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
PubChem CID116840282
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
SMILESFc1ccc(C(F)(F)CC2CCCCN2)c(F)c1
InChIInChI=1S/C13H15F4N/c14-9-4-5-11(12(15)7-9)13(16,17)8-10-3-1-2-6-18-10/h4-5,7,10,18H,1-3,6,8H2
InChIKeyNVYOYRPZZCRSHG-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
1-(2,4-difluorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622772
2-[3-(3,5-difluorophenyl)-2-fluoro-2-methylpropyl]piperidine
CID 105411766
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
bis(2,4-difluorophenyl)-pyrrolidin-2-ylmethanol
CID 123504254
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
CID 116840148
2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
CID 116840275
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622812

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine (CID 116840282) is 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine is Fc1ccc(C(F)(F)CC2CCCCN2)c(F)c1.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine?
The InChIKey is NVYOYRPZZCRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c14-9-4-5-11(12(15)7-9)13(16,17)8-10-3-1-2-6-18-10/h4-5,7,10,18H,1-3,6,8H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine?
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine has a molecular weight of 261.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine is sourced from PubChem (CID 116840282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).