2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone

C11H13F2NO2 — CID 84692542

IUPAC2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(=O)CN)c1C(C)(F)F
InChIInChI=1S/C11H13F2NO2/c1-11(12,13)10-7(8(15)6-14)4-3-5-9(10)16-2/h3-5H,6,14H2,1-2H3
InChIKeyFYMGFMKUZNGBDF-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone

2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone (PubChem CID 84692542) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
PubChem CID84692542
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(=O)CN)c1C(C)(F)F
InChIInChI=1S/C11H13F2NO2/c1-11(12,13)10-7(8(15)6-14)4-3-5-9(10)16-2/h3-5H,6,14H2,1-2H3
InChIKeyFYMGFMKUZNGBDF-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
2-amino-1-[2-(1,1-difluoroethyl)phenyl]ethanone
CID 84668706
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
3-methoxy-2-(2-methylbutan-2-yl)benzamide
CID 146620823
O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
CID 117308978
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 82807864

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone (CID 84692542) is 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone is COc1cccc(C(=O)CN)c1C(C)(F)F.
What is the InChIKey of 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone?
The InChIKey is FYMGFMKUZNGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(12,13)10-7(8(15)6-14)4-3-5-9(10)16-2/h3-5H,6,14H2,1-2H3.
What are the key properties of 2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone?
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone has a molecular weight of 229.23 g/mol, XLogP of 1.95, 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-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 84692542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).