(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one

C11H14FNO — CID 59650649

IUPAC(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
SMILESCC(=O)C[C@H](N)Cc1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(14)6-10(13)7-9-4-2-3-5-11(9)12/h2-5,10H,6-7,13H2,1H3/t10-/m0/s1
InChIKeyVOVDQQQGYGFYKU-JTQLQIEISA-N
MW195.24 g/mol
LogP1.67
Rot. Bonds4

About (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one

(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one (PubChem CID 59650649) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
PubChem CID59650649
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
SMILESCC(=O)C[C@H](N)Cc1ccccc1F
InChIInChI=1S/C11H14FNO/c1-8(14)6-10(13)7-9-4-2-3-5-11(9)12/h2-5,10H,6-7,13H2,1H3/t10-/m0/s1
InChIKeyVOVDQQQGYGFYKU-JTQLQIEISA-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

(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
4-amino-5-(2,4,5-trifluorophenyl)pentan-2-one
CID 76606923
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide
CID 11695925
(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
(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
CID 11616967
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(3R)-3-amino-4-(2-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11233630
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one?
The IUPAC name of (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one (CID 59650649) is (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one.
What is the SMILES notation for (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one?
The canonical SMILES for (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one is CC(=O)C[C@H](N)Cc1ccccc1F.
What is the InChIKey of (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one?
The InChIKey is VOVDQQQGYGFYKU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(14)6-10(13)7-9-4-2-3-5-11(9)12/h2-5,10H,6-7,13H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one?
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-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 (4R)-4-amino-5-(2-fluorophenyl)pentan-2-one is sourced from PubChem (CID 59650649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).