2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one

C11H13F2NO — CID 116590471

IUPAC2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-3-11(2,14)10(15)7-4-8(12)6-9(13)5-7/h4-6H,3,14H2,1-2H3
InChIKeyNPSZNTBYDFPLNY-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.27
Rot. Bonds3

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

2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one (PubChem CID 116590471) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
PubChem CID116590471
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-3-11(2,14)10(15)7-4-8(12)6-9(13)5-7/h4-6H,3,14H2,1-2H3
InChIKeyNPSZNTBYDFPLNY-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one (CID 116590471) is 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one?
The InChIKey is NPSZNTBYDFPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-11(2,14)10(15)7-4-8(12)6-9(13)5-7/h4-6H,3,14H2,1-2H3.
What are the key properties of 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one?
2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116590471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).