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

C11H14FNO — CID 77428239

IUPAC2-amino-1-(2-fluorophenyl)pentan-3-one
SMILESCCC(=O)C(N)Cc1ccccc1F
InChIInChI=1S/C11H14FNO/c1-2-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeyQUTUFPSVXBJIIK-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.67
Rot. Bonds4

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

2-amino-1-(2-fluorophenyl)pentan-3-one (PubChem CID 77428239) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-amino-1-(2-fluorophenyl)pentan-3-one.

Molecular Properties

Compound Name2-amino-1-(2-fluorophenyl)pentan-3-one
PubChem CID77428239
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-amino-1-(2-fluorophenyl)pentan-3-one
SMILESCCC(=O)C(N)Cc1ccccc1F
InChIInChI=1S/C11H14FNO/c1-2-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3
InChIKeyQUTUFPSVXBJIIK-UHFFFAOYSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 57302866
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluorophenyl)pentan-3-one?
The IUPAC name of 2-amino-1-(2-fluorophenyl)pentan-3-one (CID 77428239) is 2-amino-1-(2-fluorophenyl)pentan-3-one.
What is the SMILES notation for 2-amino-1-(2-fluorophenyl)pentan-3-one?
The canonical SMILES for 2-amino-1-(2-fluorophenyl)pentan-3-one is CCC(=O)C(N)Cc1ccccc1F.
What is the InChIKey of 2-amino-1-(2-fluorophenyl)pentan-3-one?
The InChIKey is QUTUFPSVXBJIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-6,10H,2,7,13H2,1H3.
What are the key properties of 2-amino-1-(2-fluorophenyl)pentan-3-one?
2-amino-1-(2-fluorophenyl)pentan-3-one has a molecular weight of 195.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluorophenyl)pentan-3-one is sourced from PubChem (CID 77428239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).