6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one

C13H17F2NO — CID 116581531

IUPAC6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-9(7-8-16)5-6-12(17)10-3-2-4-11(14)13(10)15/h2-4,9H,5-8,16H2,1H3
InChIKeyZRFMAFJXWXTYMT-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.91
Rot. Bonds6

About 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one

6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one (PubChem CID 116581531) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
PubChem CID116581531
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-9(7-8-16)5-6-12(17)10-3-2-4-11(14)13(10)15/h2-4,9H,5-8,16H2,1H3
InChIKeyZRFMAFJXWXTYMT-UHFFFAOYSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-(2,6-difluorophenyl)-4-methylhexan-1-one
CID 116581594
4-(2-aminoethyl)-1-(2,3-difluorophenyl)-5,5-dimethylhexan-1-one
CID 116578395
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
3-(aminomethyl)-1-(2,3-difluorophenyl)-5-methylhexan-1-one
CID 116576806
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
6-amino-4-methyl-1-(3-methylphenyl)hexan-1-one
CID 116581619
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one
CID 116581718
2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
CID 116556091
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792182
N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide
CID 105481705

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one (CID 116581531) is 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one is CC(CCN)CCC(=O)c1cccc(F)c1F.
What is the InChIKey of 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one?
The InChIKey is ZRFMAFJXWXTYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(7-8-16)5-6-12(17)10-3-2-4-11(14)13(10)15/h2-4,9H,5-8,16H2,1H3.
What are the key properties of 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one?
6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one has a molecular weight of 241.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one is sourced from PubChem (CID 116581531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).