(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one

C13H18FNO — CID 58458324

IUPAC(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-13(2,3)12(16)11(15)8-9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3/t11-/m1/s1
InChIKeyJSSZLJRCBKGEFI-LLVKDONJSA-N
MW223.29 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one

(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one (PubChem CID 58458324) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
PubChem CID58458324
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-13(2,3)12(16)11(15)8-9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3/t11-/m1/s1
InChIKeyJSSZLJRCBKGEFI-LLVKDONJSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 62393729
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239
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-(4-bromophenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-1-(4-tert-butylphenyl)-4,4-dimethylpentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(3-methylphenyl)pentan-3-one;(2R)-2-amino-4,4-dimethyl-1-(4-methylphenyl)pentan-3-one;(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 159438092
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 57302866
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
The IUPAC name of (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one (CID 58458324) is (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)[C@H](N)Cc1ccccc1F.
What is the InChIKey of (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
The InChIKey is JSSZLJRCBKGEFI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,3)12(16)11(15)8-9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one?
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one has a molecular weight of 223.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 58458324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).