3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one

C10H11F2NO2 — CID 84783757

IUPAC3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)cc(F)c1C(=O)CCN
InChIInChI=1S/C10H11F2NO2/c1-15-9-5-6(11)4-7(12)10(9)8(14)2-3-13/h4-5H,2-3,13H2,1H3
InChIKeyHJAJNRNUJGRWQX-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.50
Rot. Bonds4

About 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one

3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one (PubChem CID 84783757) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
PubChem CID84783757
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)cc(F)c1C(=O)CCN
InChIInChI=1S/C10H11F2NO2/c1-15-9-5-6(11)4-7(12)10(9)8(14)2-3-13/h4-5H,2-3,13H2,1H3
InChIKeyHJAJNRNUJGRWQX-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
3-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]propan-1-one
CID 117385904
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
4-fluoro-2-methoxy-6-methylbenzamide
CID 69408155
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one (CID 84783757) is 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one is COc1cc(F)cc(F)c1C(=O)CCN.
What is the InChIKey of 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one?
The InChIKey is HJAJNRNUJGRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-9-5-6(11)4-7(12)10(9)8(14)2-3-13/h4-5H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one?
3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one has a molecular weight of 215.20 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one is sourced from PubChem (CID 84783757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).