3-amino-1-(2,6-difluorophenyl)butan-1-one

C10H11F2NO — CID 81462317

IUPAC3-amino-1-(2,6-difluorophenyl)butan-1-one
SMILESCC(N)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO/c1-6(13)5-9(14)10-7(11)3-2-4-8(10)12/h2-4,6H,5,13H2,1H3
InChIKeyYICCFKMEAZBLPY-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-1-(2,6-difluorophenyl)butan-1-one

3-amino-1-(2,6-difluorophenyl)butan-1-one (PubChem CID 81462317) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,6-difluorophenyl)butan-1-one
PubChem CID81462317
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-amino-1-(2,6-difluorophenyl)butan-1-one
SMILESCC(N)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO/c1-6(13)5-9(14)10-7(11)3-2-4-8(10)12/h2-4,6H,5,13H2,1H3
InChIKeyYICCFKMEAZBLPY-UHFFFAOYSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
CID 116596554
(2R)-2-amino-4-(2,6-difluorophenyl)-4-oxobutanoic acid
CID 106702770
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
5-amino-1-(2,6-difluorophenyl)hexan-1-one
CID 116610101
3-(aminomethyl)-1-(2,6-difluorophenyl)-5-methylhexan-1-one
CID 116576864
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
6-amino-1-(2,6-difluorophenyl)-4-methylhexan-1-one
CID 116581594
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
3-amino-1-(3-bromo-2-fluorophenyl)butan-1-one
CID 106647112
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
2-methylpropyl 2,6-difluorobenzoate
CID 587969
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluorophenyl)butan-1-one?
The IUPAC name of 3-amino-1-(2,6-difluorophenyl)butan-1-one (CID 81462317) is 3-amino-1-(2,6-difluorophenyl)butan-1-one.
What is the SMILES notation for 3-amino-1-(2,6-difluorophenyl)butan-1-one?
The canonical SMILES for 3-amino-1-(2,6-difluorophenyl)butan-1-one is CC(N)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 3-amino-1-(2,6-difluorophenyl)butan-1-one?
The InChIKey is YICCFKMEAZBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6(13)5-9(14)10-7(11)3-2-4-8(10)12/h2-4,6H,5,13H2,1H3.
What are the key properties of 3-amino-1-(2,6-difluorophenyl)butan-1-one?
3-amino-1-(2,6-difluorophenyl)butan-1-one has a molecular weight of 199.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-difluorophenyl)butan-1-one is sourced from PubChem (CID 81462317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).