5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one

C12H15F2NO — CID 116594975

IUPAC5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
SMILESCC(CCN)C(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-8(4-5-15)12(16)6-9-2-3-10(13)7-11(9)14/h2-3,7-8H,4-6,15H2,1H3
InChIKeyWZTOZSJIDFMGEO-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.06
Rot. Bonds5

About 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one

5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one (PubChem CID 116594975) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
PubChem CID116594975
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
SMILESCC(CCN)C(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-8(4-5-15)12(16)6-9-2-3-10(13)7-11(9)14/h2-3,7-8H,4-6,15H2,1H3
InChIKeyWZTOZSJIDFMGEO-UHFFFAOYSA-N
XLogP2.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933
6-amino-1-(2-bromo-5-fluorophenyl)-3-methylhexan-2-one
CID 116613456
4-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350390
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
7-amino-1-(4-bromo-2-fluorophenyl)-3-methyloctan-2-one
CID 116574337
4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
CID 116606369
4-amino-N-[(2,5-difluorophenyl)methyl]-2-methylbutanamide
CID 80545149
5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
CID 116594757
1-(2-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 63717028
(2R)-3-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 124517356
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one?
The IUPAC name of 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one (CID 116594975) is 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one.
What is the SMILES notation for 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one?
The canonical SMILES for 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one is CC(CCN)C(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one?
The InChIKey is WZTOZSJIDFMGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(4-5-15)12(16)6-9-2-3-10(13)7-11(9)14/h2-3,7-8H,4-6,15H2,1H3.
What are the key properties of 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one?
5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one has a molecular weight of 227.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one is sourced from PubChem (CID 116594975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).