2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one

C11H13F2NO — CID 116590230

IUPAC2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO/c1-3-11(2,14)10(15)7-4-5-8(12)9(13)6-7/h4-6H,3,14H2,1-2H3
InChIKeyLVUUQVYYEJXMJC-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.27
Rot. Bonds3

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

2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one (PubChem CID 116590230) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
PubChem CID116590230
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO/c1-3-11(2,14)10(15)7-4-5-8(12)9(13)6-7/h4-6H,3,14H2,1-2H3
InChIKeyLVUUQVYYEJXMJC-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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Related Compounds

2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
CID 116590471
2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
CID 116557002
2-amino-1-(4-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 116590524
1-(3,4-difluorophenyl)pentane-1,3-dione
CID 23234486
1-(3,4-difluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 79197155
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116590511
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
CID 116590355
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
methyl 3-(3,4-difluorophenyl)-3-oxopropanoate
CID 79023808

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one (CID 116590230) is 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one?
The InChIKey is LVUUQVYYEJXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-11(2,14)10(15)7-4-5-8(12)9(13)6-7/h4-6H,3,14H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one?
2-amino-1-(3,4-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-(3,4-difluorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116590230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).