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

C12H16FNO — CID 107890280

IUPAC1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C12H16FNO/c1-3-5-8(2)12(15)9-6-4-7-10(13)11(9)14/h4,6-8H,3,5,14H2,1-2H3
InChIKeyOHBYQSIFOWKWMK-UHFFFAOYSA-N
MW209.26 g/mol
LogP3.03
Rot. Bonds4

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

1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one (PubChem CID 107890280) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one
PubChem CID107890280
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C12H16FNO/c1-3-5-8(2)12(15)9-6-4-7-10(13)11(9)14/h4,6-8H,3,5,14H2,1-2H3
InChIKeyOHBYQSIFOWKWMK-UHFFFAOYSA-N
XLogP3.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 106025768
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1-(2-bromophenyl)-2-methylpentan-1-one
CID 107891390
1-(2-amino-3-fluorophenyl)hexan-1-one
CID 116597714
(2-fluorophenyl) 2-methylpentanoate
CID 78777060
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
butyl 2-amino-3-fluorobenzoate
CID 80502132
1-(2-bromo-3,4-difluorophenyl)-2-methylpentan-1-one
CID 107896453
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one (CID 107890280) is 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one is CCCC(C)C(=O)c1cccc(F)c1N.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one?
The InChIKey is OHBYQSIFOWKWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-5-8(2)12(15)9-6-4-7-10(13)11(9)14/h4,6-8H,3,5,14H2,1-2H3.
What are the key properties of 1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one?
1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one has a molecular weight of 209.26 g/mol, XLogP of 3.03, 4 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)-2-methylpentan-1-one is sourced from PubChem (CID 107890280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).