5-(2,4-difluoroanilino)pentan-2-one

C11H13F2NO — CID 115236220

IUPAC5-(2,4-difluoroanilino)pentan-2-one
SMILESCC(=O)CCCNc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c1-8(15)3-2-6-14-11-5-4-9(12)7-10(11)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyDCKFZJRAYGLNEO-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.75
Rot. Bonds5

About 5-(2,4-difluoroanilino)pentan-2-one

5-(2,4-difluoroanilino)pentan-2-one (PubChem CID 115236220) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)pentan-2-one.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)pentan-2-one
PubChem CID115236220
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-(2,4-difluoroanilino)pentan-2-one
SMILESCC(=O)CCCNc1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c1-8(15)3-2-6-14-11-5-4-9(12)7-10(11)13/h4-5,7,14H,2-3,6H2,1H3
InChIKeyDCKFZJRAYGLNEO-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.75
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

methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
2,4-difluoro-N-nonylaniline
CID 43129325
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
CID 109034608
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)pentan-2-one?
The IUPAC name of 5-(2,4-difluoroanilino)pentan-2-one (CID 115236220) is 5-(2,4-difluoroanilino)pentan-2-one.
What is the SMILES notation for 5-(2,4-difluoroanilino)pentan-2-one?
The canonical SMILES for 5-(2,4-difluoroanilino)pentan-2-one is CC(=O)CCCNc1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluoroanilino)pentan-2-one?
The InChIKey is DCKFZJRAYGLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-8(15)3-2-6-14-11-5-4-9(12)7-10(11)13/h4-5,7,14H,2-3,6H2,1H3.
What are the key properties of 5-(2,4-difluoroanilino)pentan-2-one?
5-(2,4-difluoroanilino)pentan-2-one has a molecular weight of 213.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)pentan-2-one is sourced from PubChem (CID 115236220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).