1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one

C14H20FNO3 — CID 114243242

IUPAC1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
SMILESCN(CCOCCO)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-16(6-8-19-9-7-17)11-14(18)10-12-2-4-13(15)5-3-12/h2-5,17H,6-11H2,1H3
InChIKeyDRFUAHVILQTTRO-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.88
Rot. Bonds9

About 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one

1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one (PubChem CID 114243242) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
PubChem CID114243242
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
SMILESCN(CCOCCO)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-16(6-8-19-9-7-17)11-14(18)10-12-2-4-13(15)5-3-12/h2-5,17H,6-11H2,1H3
InChIKeyDRFUAHVILQTTRO-UHFFFAOYSA-N
XLogP0.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one (CID 114243242) is 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one is CN(CCOCCO)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one?
The InChIKey is DRFUAHVILQTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-16(6-8-19-9-7-17)11-14(18)10-12-2-4-13(15)5-3-12/h2-5,17H,6-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one?
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one has a molecular weight of 269.32 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one is sourced from PubChem (CID 114243242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).