1-[3-(dimethylamino)-5-fluorophenyl]ethanone

C10H12FNO — CID 82535454

IUPAC1-[3-(dimethylamino)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)cc(N(C)C)c1
InChIInChI=1S/C10H12FNO/c1-7(13)8-4-9(11)6-10(5-8)12(2)3/h4-6H,1-3H3
InChIKeyBKTOGVCWWAYHQL-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.09
Rot. Bonds2

About 1-[3-(dimethylamino)-5-fluorophenyl]ethanone

1-[3-(dimethylamino)-5-fluorophenyl]ethanone (PubChem CID 82535454) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)-5-fluorophenyl]ethanone
PubChem CID82535454
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-[3-(dimethylamino)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)cc(N(C)C)c1
InChIInChI=1S/C10H12FNO/c1-7(13)8-4-9(11)6-10(5-8)12(2)3/h4-6H,1-3H3
InChIKeyBKTOGVCWWAYHQL-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(dimethylamino)-5-fluorophenyl]ethanone (CID 82535454) is 1-[3-(dimethylamino)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(dimethylamino)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)cc(N(C)C)c1.
What is the InChIKey of 1-[3-(dimethylamino)-5-fluorophenyl]ethanone?
The InChIKey is BKTOGVCWWAYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7(13)8-4-9(11)6-10(5-8)12(2)3/h4-6H,1-3H3.
What are the key properties of 1-[3-(dimethylamino)-5-fluorophenyl]ethanone?
1-[3-(dimethylamino)-5-fluorophenyl]ethanone has a molecular weight of 181.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-5-fluorophenyl]ethanone is sourced from PubChem (CID 82535454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).