1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone

C12H16FNO2 — CID 104552726

IUPAC1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
SMILESCC(CO)N(C)CC(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(8-15)14(2)7-12(16)10-5-3-4-6-11(10)13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCJWXNMDLOHTAHY-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.32
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone

1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone (PubChem CID 104552726) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
PubChem CID104552726
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
SMILESCC(CO)N(C)CC(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(8-15)14(2)7-12(16)10-5-3-4-6-11(10)13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCJWXNMDLOHTAHY-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone
CID 62980074
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 104552733
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62035714
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037419
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone (CID 104552726) is 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone is CC(CO)N(C)CC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone?
The InChIKey is CJWXNMDLOHTAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(8-15)14(2)7-12(16)10-5-3-4-6-11(10)13/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone?
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone has a molecular weight of 225.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone is sourced from PubChem (CID 104552726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).