(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one

C12H15ClFNO — CID 59670759

IUPAC(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@H](N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO/c1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11H,6,15H2,1-2H3/t11-/m1/s1
InChIKeyRMKPEJDAKOCOEW-LLVKDONJSA-N
MW243.71 g/mol
LogP2.57
Rot. Bonds4

About (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one

(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one (PubChem CID 59670759) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one
PubChem CID59670759
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one
SMILESCC(C)C(=O)[C@H](N)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO/c1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11H,6,15H2,1-2H3/t11-/m1/s1
InChIKeyRMKPEJDAKOCOEW-LLVKDONJSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116
(2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 62717943
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
tert-butyl 2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 114012328
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398
3-[(4-chloro-3-fluorophenyl)methyl]pentan-2-one
CID 107882807
3-amino-1-(4-chloro-3-fluorophenyl)hexan-2-one
CID 107890466
2-[(4-chloro-3-fluorophenyl)methyl]-4-methylpentanoic acid
CID 107883000
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
3-(4-chloro-3-fluorophenyl)-2-fluoropropanoic acid
CID 130820068
1-(4-chloro-3-fluorophenyl)-3-methoxybutan-2-amine
CID 107884948
1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
CID 107884157

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one?
The IUPAC name of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one (CID 59670759) is (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one.
What is the SMILES notation for (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one?
The canonical SMILES for (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one is CC(C)C(=O)[C@H](N)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one?
The InChIKey is RMKPEJDAKOCOEW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7(2)12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11H,6,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one?
(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one has a molecular weight of 243.71 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one is sourced from PubChem (CID 59670759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).