1-(2-amino-3-fluorophenyl)hexan-1-one

C12H16FNO — CID 116597714

IUPAC1-(2-amino-3-fluorophenyl)hexan-1-one
SMILESCCCCCC(=O)c1cccc(F)c1N
InChIInChI=1S/C12H16FNO/c1-2-3-4-8-11(15)9-6-5-7-10(13)12(9)14/h5-7H,2-4,8,14H2,1H3
InChIKeyBFKKZBVXXQDCHF-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-amino-3-fluorophenyl)hexan-1-one

1-(2-amino-3-fluorophenyl)hexan-1-one (PubChem CID 116597714) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)hexan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)hexan-1-one
PubChem CID116597714
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(2-amino-3-fluorophenyl)hexan-1-one
SMILESCCCCCC(=O)c1cccc(F)c1N
InChIInChI=1S/C12H16FNO/c1-2-3-4-8-11(15)9-6-5-7-10(13)12(9)14/h5-7H,2-4,8,14H2,1H3
InChIKeyBFKKZBVXXQDCHF-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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butyl 2-amino-3-fluorobenzoate
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CID 79522078
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-fluorophenyl)octane-1,3-dione
CID 43138821
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
2,3-difluoro-N-pentylbenzamide
CID 62649821
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-(2,3-dimethylphenyl)nonan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)hexan-1-one?
The IUPAC name of 1-(2-amino-3-fluorophenyl)hexan-1-one (CID 116597714) is 1-(2-amino-3-fluorophenyl)hexan-1-one.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)hexan-1-one?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)hexan-1-one is CCCCCC(=O)c1cccc(F)c1N.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)hexan-1-one?
The InChIKey is BFKKZBVXXQDCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-4-8-11(15)9-6-5-7-10(13)12(9)14/h5-7H,2-4,8,14H2,1H3.
What are the key properties of 1-(2-amino-3-fluorophenyl)hexan-1-one?
1-(2-amino-3-fluorophenyl)hexan-1-one has a molecular weight of 209.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)hexan-1-one is sourced from PubChem (CID 116597714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).