5-amino-1-(2,6-difluorophenyl)hexan-1-one

C12H15F2NO — CID 116610101

IUPAC5-amino-1-(2,6-difluorophenyl)hexan-1-one
SMILESCC(N)CCCC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c1-8(15)4-2-7-11(16)12-9(13)5-3-6-10(12)14/h3,5-6,8H,2,4,7,15H2,1H3
InChIKeyAYCGZUHUNYTOPB-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.66
Rot. Bonds5

About 5-amino-1-(2,6-difluorophenyl)hexan-1-one

5-amino-1-(2,6-difluorophenyl)hexan-1-one (PubChem CID 116610101) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 5-amino-1-(2,6-difluorophenyl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(2,6-difluorophenyl)hexan-1-one
PubChem CID116610101
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name5-amino-1-(2,6-difluorophenyl)hexan-1-one
SMILESCC(N)CCCC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO/c1-8(15)4-2-7-11(16)12-9(13)5-3-6-10(12)14/h3,5-6,8H,2,4,7,15H2,1H3
InChIKeyAYCGZUHUNYTOPB-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317
6-amino-1-(2,6-difluorophenyl)-4-methylhexan-1-one
CID 116581594
6-amino-1-(2,3-difluorophenyl)heptan-2-one
CID 116610280
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
5-bromo-1-(2,6-difluorophenyl)pentan-1-one
CID 146010071
(2-fluorophenyl)methyl 5-aminohexanoate
CID 82847460
4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
CID 116596554
5-amino-1-(3-ethylphenyl)hexan-1-one
CID 116610152
5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
CID 116610017
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
5-amino-1-(2,3-difluorophenyl)hexan-2-one
CID 116571825

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-difluorophenyl)hexan-1-one?
The IUPAC name of 5-amino-1-(2,6-difluorophenyl)hexan-1-one (CID 116610101) is 5-amino-1-(2,6-difluorophenyl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(2,6-difluorophenyl)hexan-1-one?
The canonical SMILES for 5-amino-1-(2,6-difluorophenyl)hexan-1-one is CC(N)CCCC(=O)c1c(F)cccc1F.
What is the InChIKey of 5-amino-1-(2,6-difluorophenyl)hexan-1-one?
The InChIKey is AYCGZUHUNYTOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(15)4-2-7-11(16)12-9(13)5-3-6-10(12)14/h3,5-6,8H,2,4,7,15H2,1H3.
What are the key properties of 5-amino-1-(2,6-difluorophenyl)hexan-1-one?
5-amino-1-(2,6-difluorophenyl)hexan-1-one has a molecular weight of 227.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-difluorophenyl)hexan-1-one is sourced from PubChem (CID 116610101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).