4-[acetyl(methyl)amino]-2-fluorophenolate

C9H9FNO2- — CID 154609542

IUPAC4-[acetyl(methyl)amino]-2-fluorophenolate
SMILESCC(=O)N(C)c1ccc([O-])c(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(12)11(2)7-3-4-9(13)8(10)5-7/h3-5,13H,1-2H3/p-1
InChIKeyDQOPLLJYDHTIRF-UHFFFAOYSA-M
MW182.17 g/mol
LogP0.88
Rot. Bonds1

About 4-[acetyl(methyl)amino]-2-fluorophenolate

4-[acetyl(methyl)amino]-2-fluorophenolate (PubChem CID 154609542) has the molecular formula C9H9FNO2- and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]-2-fluorophenolate.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]-2-fluorophenolate
PubChem CID154609542
Molecular FormulaC9H9FNO2-
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name4-[acetyl(methyl)amino]-2-fluorophenolate
SMILESCC(=O)N(C)c1ccc([O-])c(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(12)11(2)7-3-4-9(13)8(10)5-7/h3-5,13H,1-2H3/p-1
InChIKeyDQOPLLJYDHTIRF-UHFFFAOYSA-M
XLogP0.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 10536160
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
3-[acetyl(methyl)amino]benzenesulfinate
CID 57245902
N-[10-acetyl-7-(dimethylamino)phenothiazin-3-yl]-N-methylacetamide
CID 15918618

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]-2-fluorophenolate?
The IUPAC name of 4-[acetyl(methyl)amino]-2-fluorophenolate (CID 154609542) is 4-[acetyl(methyl)amino]-2-fluorophenolate.
What is the SMILES notation for 4-[acetyl(methyl)amino]-2-fluorophenolate?
The canonical SMILES for 4-[acetyl(methyl)amino]-2-fluorophenolate is CC(=O)N(C)c1ccc([O-])c(F)c1.
What is the InChIKey of 4-[acetyl(methyl)amino]-2-fluorophenolate?
The InChIKey is DQOPLLJYDHTIRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10FNO2/c1-6(12)11(2)7-3-4-9(13)8(10)5-7/h3-5,13H,1-2H3/p-1.
What are the key properties of 4-[acetyl(methyl)amino]-2-fluorophenolate?
4-[acetyl(methyl)amino]-2-fluorophenolate has a molecular weight of 182.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]-2-fluorophenolate is sourced from PubChem (CID 154609542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).