4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one

C13H17F2NO — CID 116606369

IUPAC4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO/c1-8(2)13(16)7-11(17)5-9-3-4-10(14)6-12(9)15/h3-4,6,8,13H,5,7,16H2,1-2H3
InChIKeyALQAEVAKERRROL-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.45
Rot. Bonds5

About 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one

4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one (PubChem CID 116606369) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
PubChem CID116606369
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO/c1-8(2)13(16)7-11(17)5-9-3-4-10(14)6-12(9)15/h3-4,6,8,13H,5,7,16H2,1-2H3
InChIKeyALQAEVAKERRROL-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2,4-difluorophenyl)-6,6-dimethylheptan-2-one
CID 116614717
4-amino-1-(3-bromo-4-fluorophenyl)-5-methylhexan-2-one
CID 116606300
1-(2,4-difluorophenyl)-4-ethyloctan-2-one
CID 64558686
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
CID 116594975
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
1-(2-bromo-4-fluorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967990
4-amino-1-(3-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 102865298
N-(2-amino-3-ethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106286035
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
CID 114863569

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one?
The IUPAC name of 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one (CID 116606369) is 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one.
What is the SMILES notation for 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one?
The canonical SMILES for 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one is CC(C)C(N)CC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one?
The InChIKey is ALQAEVAKERRROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8(2)13(16)7-11(17)5-9-3-4-10(14)6-12(9)15/h3-4,6,8,13H,5,7,16H2,1-2H3.
What are the key properties of 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one?
4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one has a molecular weight of 241.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one is sourced from PubChem (CID 116606369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).