5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one

C13H17F2NO — CID 115236677

IUPAC5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
SMILESCC(=O)CCCNCCc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-10(17)3-2-7-16-8-6-11-9-12(14)4-5-13(11)15/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyLYAHLAMPNYOAJF-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.47
Rot. Bonds7

About 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one

5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one (PubChem CID 115236677) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
PubChem CID115236677
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
SMILESCC(=O)CCCNCCc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-10(17)3-2-7-16-8-6-11-9-12(14)4-5-13(11)15/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyLYAHLAMPNYOAJF-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
CID 115236590
5-[(5-bromo-2-fluorophenyl)methylamino]pentan-2-one
CID 115236526
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
5-(2,4-difluoroanilino)pentan-2-one
CID 115236220
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
2-(2,5-difluorophenyl)ethylurea
CID 115168493
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one?
The IUPAC name of 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one (CID 115236677) is 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one is CC(=O)CCCNCCc1cc(F)ccc1F.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one?
The InChIKey is LYAHLAMPNYOAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-10(17)3-2-7-16-8-6-11-9-12(14)4-5-13(11)15/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one?
5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one has a molecular weight of 241.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one is sourced from PubChem (CID 115236677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).