2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone

C10H11F2NO2 — CID 117306249

IUPAC2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1ccc(C(=O)CN)c(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-15-5-6-2-3-7(8(14)4-13)10(12)9(6)11/h2-3H,4-5,13H2,1H3
InChIKeyKSJOEXXDWNJRHC-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone

2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone (PubChem CID 117306249) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
PubChem CID117306249
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1ccc(C(=O)CN)c(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-15-5-6-2-3-7(8(14)4-13)10(12)9(6)11/h2-3H,4-5,13H2,1H3
InChIKeyKSJOEXXDWNJRHC-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117350605
3-amino-2-[2,6-difluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117364248
2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
CID 117305010
2-amino-1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanone
CID 117319352
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
methyl 4-(2-bromoethyl)-2,3-difluorobenzoate
CID 175265432
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
2-amino-1-(7-fluoro-1H-indol-6-yl)ethanone
CID 82374526
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395
2-fluoro-4-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
CID 140653672
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone (CID 117306249) is 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone is COCc1ccc(C(=O)CN)c(F)c1F.
What is the InChIKey of 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone?
The InChIKey is KSJOEXXDWNJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-5-6-2-3-7(8(14)4-13)10(12)9(6)11/h2-3H,4-5,13H2,1H3.
What are the key properties of 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone?
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone has a molecular weight of 215.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117306249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).