5-amino-4-fluoro-3-(methylamino)pentan-2-one

C6H13FN2O — CID 121246260

IUPAC5-amino-4-fluoro-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(F)CN
InChIInChI=1S/C6H13FN2O/c1-4(10)6(9-2)5(7)3-8/h5-6,9H,3,8H2,1-2H3
InChIKeyFZKFEJOODIHQBJ-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.54
Rot. Bonds4

About 5-amino-4-fluoro-3-(methylamino)pentan-2-one

5-amino-4-fluoro-3-(methylamino)pentan-2-one (PubChem CID 121246260) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 5-amino-4-fluoro-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name5-amino-4-fluoro-3-(methylamino)pentan-2-one
PubChem CID121246260
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name5-amino-4-fluoro-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(F)CN
InChIInChI=1S/C6H13FN2O/c1-4(10)6(9-2)5(7)3-8/h5-6,9H,3,8H2,1-2H3
InChIKeyFZKFEJOODIHQBJ-UHFFFAOYSA-N
XLogP-0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Fluoro-3-(methylamino)pentan-2-one
CID 21137007
(4S)-2-fluoro-4-(methylamino)pentan-3-one
CID 122674507
1-Acetyl-1,7-diamino-4-azaheptane
CID 129843914
1-Acetyl-1,11-diamino-4,8-diazaundecane
CID 129844125
1-Acetyl-1,12-diamino-4,8-diazadodecane
CID 129844131
5,5,5-Trifluoro-1-(propan-2-ylamino)pentan-2-one
CID 116554978
6,6,6-Trifluoro-2-(methylamino)hexan-3-one
CID 116565085
3,5-Diamino-4-fluoropentan-2-one
CID 145050486
5-Amino-3-(methylamino)pentan-2-one
CID 21339791
4-Aminopiperidin-3-one
CID 22260291
2-(Methylamino)hexan-3-one
CID 55287131
(3S)-5-azido-3-(methylamino)pentan-2-one
CID 59274226

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-3-(methylamino)pentan-2-one?
The IUPAC name of 5-amino-4-fluoro-3-(methylamino)pentan-2-one (CID 121246260) is 5-amino-4-fluoro-3-(methylamino)pentan-2-one.
What is the SMILES notation for 5-amino-4-fluoro-3-(methylamino)pentan-2-one?
The canonical SMILES for 5-amino-4-fluoro-3-(methylamino)pentan-2-one is CNC(C(C)=O)C(F)CN.
What is the InChIKey of 5-amino-4-fluoro-3-(methylamino)pentan-2-one?
The InChIKey is FZKFEJOODIHQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-4(10)6(9-2)5(7)3-8/h5-6,9H,3,8H2,1-2H3.
What are the key properties of 5-amino-4-fluoro-3-(methylamino)pentan-2-one?
5-amino-4-fluoro-3-(methylamino)pentan-2-one has a molecular weight of 148.18 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-3-(methylamino)pentan-2-one is sourced from PubChem (CID 121246260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).