2-amino-1-(2-fluorophenyl)-2-methoxyethanone

C9H10FNO2 — CID 57287151

IUPAC2-amino-1-(2-fluorophenyl)-2-methoxyethanone
SMILESCOC(N)C(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO2/c1-13-9(11)8(12)6-4-2-3-5-7(6)10/h2-5,9H,11H2,1H3
InChIKeyYJUPIZSJHHCEMA-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-1-(2-fluorophenyl)-2-methoxyethanone

2-amino-1-(2-fluorophenyl)-2-methoxyethanone (PubChem CID 57287151) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-amino-1-(2-fluorophenyl)-2-methoxyethanone.

Molecular Properties

Compound Name2-amino-1-(2-fluorophenyl)-2-methoxyethanone
PubChem CID57287151
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-amino-1-(2-fluorophenyl)-2-methoxyethanone
SMILESCOC(N)C(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO2/c1-13-9(11)8(12)6-4-2-3-5-7(6)10/h2-5,9H,11H2,1H3
InChIKeyYJUPIZSJHHCEMA-UHFFFAOYSA-N
XLogP0.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-amino-2-methoxy-1-[2-(phenoxymethyl)phenyl]ethanone
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1-(2-fluorophenyl)-2-hydroxybutan-1-one
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3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
ethyl (2R)-2-(2-fluorobenzoyl)-3-oxobutanoate
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methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
1-(2-fluorophenyl)-4,4-dimethoxybutane-1,3-dione
CID 62744150
2-amino-1-(2-fluorophenyl)-2-thiophen-2-ylethanone
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3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluorophenyl)-2-methoxyethanone?
The IUPAC name of 2-amino-1-(2-fluorophenyl)-2-methoxyethanone (CID 57287151) is 2-amino-1-(2-fluorophenyl)-2-methoxyethanone.
What is the SMILES notation for 2-amino-1-(2-fluorophenyl)-2-methoxyethanone?
The canonical SMILES for 2-amino-1-(2-fluorophenyl)-2-methoxyethanone is COC(N)C(=O)c1ccccc1F.
What is the InChIKey of 2-amino-1-(2-fluorophenyl)-2-methoxyethanone?
The InChIKey is YJUPIZSJHHCEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-9(11)8(12)6-4-2-3-5-7(6)10/h2-5,9H,11H2,1H3.
What are the key properties of 2-amino-1-(2-fluorophenyl)-2-methoxyethanone?
2-amino-1-(2-fluorophenyl)-2-methoxyethanone has a molecular weight of 183.18 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluorophenyl)-2-methoxyethanone is sourced from PubChem (CID 57287151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).