1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone

C12H16FNO2 — CID 78897897

IUPAC1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
SMILESCCOCCNc1cccc(F)c1C(C)=O
InChIInChI=1S/C12H16FNO2/c1-3-16-8-7-14-11-6-4-5-10(13)12(11)9(2)15/h4-6,14H,3,7-8H2,1-2H3
InChIKeyPAUPKCVBASBJNP-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone

1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone (PubChem CID 78897897) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
PubChem CID78897897
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone
SMILESCCOCCNc1cccc(F)c1C(C)=O
InChIInChI=1S/C12H16FNO2/c1-3-16-8-7-14-11-6-4-5-10(13)12(11)9(2)15/h4-6,14H,3,7-8H2,1-2H3
InChIKeyPAUPKCVBASBJNP-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[2-(2-hydroxyethoxy)ethylamino]benzoic acid
CID 79523169
1-[2-fluoro-6-[2-[4-(hydroxymethyl)phenyl]ethylamino]phenyl]ethanone
CID 133434709
1-[2-fluoro-6-[[2-(propoxymethyl)phenyl]methylamino]phenyl]ethanone
CID 52679199
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
1-[2-[2-(benzenesulfonyl)ethylamino]-6-fluorophenyl]ethanone
CID 75442202
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
CID 43387895
ethyl 3-(2-carbamoyl-3-fluoroanilino)propanoate
CID 79512517
1-[2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-6-fluorophenyl]ethanone
CID 133433973
ethyl 3-(2-carbamothioyl-3-fluoroanilino)propanoate
CID 79520406
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone (CID 78897897) is 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone is CCOCCNc1cccc(F)c1C(C)=O.
What is the InChIKey of 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone?
The InChIKey is PAUPKCVBASBJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-16-8-7-14-11-6-4-5-10(13)12(11)9(2)15/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone?
1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone has a molecular weight of 225.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethylamino)-6-fluorophenyl]ethanone is sourced from PubChem (CID 78897897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).