2-(ethylamino)-1-(4-fluorophenyl)ethanone

C10H12FNO — CID 15982678

IUPAC2-(ethylamino)-1-(4-fluorophenyl)ethanone
SMILESCCNCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3
InChIKeyKSIOQAICUJCYNJ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.62
Rot. Bonds4

About 2-(ethylamino)-1-(4-fluorophenyl)ethanone

2-(ethylamino)-1-(4-fluorophenyl)ethanone (PubChem CID 15982678) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-fluorophenyl)ethanone
PubChem CID15982678
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-(ethylamino)-1-(4-fluorophenyl)ethanone
SMILESCCNCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3
InChIKeyKSIOQAICUJCYNJ-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(ethylamino)-1-(4-fluorophenyl)ethanone (CID 15982678) is 2-(ethylamino)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(ethylamino)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(ethylamino)-1-(4-fluorophenyl)ethanone is CCNCC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(ethylamino)-1-(4-fluorophenyl)ethanone?
The InChIKey is KSIOQAICUJCYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3.
What are the key properties of 2-(ethylamino)-1-(4-fluorophenyl)ethanone?
2-(ethylamino)-1-(4-fluorophenyl)ethanone has a molecular weight of 181.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 15982678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).