2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone

C10H11F2NO2 — CID 117306250

IUPAC2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1c(F)cc(C(=O)CN)cc1F
InChIInChI=1S/C10H11F2NO2/c1-15-5-7-8(11)2-6(3-9(7)12)10(14)4-13/h2-3H,4-5,13H2,1H3
InChIKeyHMNIDKPYVGWEPO-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone

2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone (PubChem CID 117306250) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone
PubChem CID117306250
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone
SMILESCOCc1c(F)cc(C(=O)CN)cc1F
InChIInChI=1S/C10H11F2NO2/c1-15-5-7-8(11)2-6(3-9(7)12)10(14)4-13/h2-3H,4-5,13H2,1H3
InChIKeyHMNIDKPYVGWEPO-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

ethyl 2-[3,5-difluoro-4-(methoxymethyl)phenyl]-2-oxoacetate
CID 117398673
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
4-(2-aminoacetyl)-2,6-difluorobenzoic acid
CID 117306137
2-amino-1-(3-fluoro-4-methylphenyl)ethanone;methyl 3-fluoro-4-methylbenzoate
CID 160772754
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
3-[3,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398966
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
2-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone (CID 117306250) is 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone is COCc1c(F)cc(C(=O)CN)cc1F.
What is the InChIKey of 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone?
The InChIKey is HMNIDKPYVGWEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-5-7-8(11)2-6(3-9(7)12)10(14)4-13/h2-3H,4-5,13H2,1H3.
What are the key properties of 2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone?
2-amino-1-[3,5-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-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117306250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).