2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone

C13H15F2NO — CID 116547766

IUPAC2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cc(F)ccc1F)C1CCCCN1
InChIInChI=1S/C13H15F2NO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2
InChIKeyIGDQUZNRGKNJTN-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.22
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone

2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone (PubChem CID 116547766) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
PubChem CID116547766
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cc(F)ccc1F)C1CCCCN1
InChIInChI=1S/C13H15F2NO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2
InChIKeyIGDQUZNRGKNJTN-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
2-(2,5-difluorophenyl)-1-(1,1-dioxothian-2-yl)ethanone
CID 114964091
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
CID 116547886
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone (CID 116547766) is 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone is O=C(Cc1cc(F)ccc1F)C1CCCCN1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone?
The InChIKey is IGDQUZNRGKNJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone?
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone has a molecular weight of 239.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).