3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one

C11H13F2NO2 — CID 117329949

IUPAC3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
SMILESCCOc1ccc(C(=O)CCN)c(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-2-16-9-4-3-7(8(15)5-6-14)10(12)11(9)13/h3-4H,2,5-6,14H2,1H3
InChIKeyVEGYMGNSXDJIEN-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.89
Rot. Bonds5

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

3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one (PubChem CID 117329949) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
PubChem CID117329949
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
SMILESCCOc1ccc(C(=O)CCN)c(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-2-16-9-4-3-7(8(15)5-6-14)10(12)11(9)13/h3-4H,2,5-6,14H2,1H3
InChIKeyVEGYMGNSXDJIEN-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
3-bromo-1-(3-ethoxy-2-fluorophenyl)propan-1-one
CID 134624784
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
CID 117331897
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
CID 117482319
3-ethoxy-2-fluorobenzoate
CID 86306838
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
7-amino-1-(2,3-difluoro-4-methylphenyl)heptan-1-one
CID 107514831

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one (CID 117329949) is 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one is CCOc1ccc(C(=O)CCN)c(F)c1F.
What is the InChIKey of 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one?
The InChIKey is VEGYMGNSXDJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-2-16-9-4-3-7(8(15)5-6-14)10(12)11(9)13/h3-4H,2,5-6,14H2,1H3.
What are the key properties of 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one?
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one has a molecular weight of 229.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one is sourced from PubChem (CID 117329949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).