1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol

C14H15F2NOS — CID 60900670

IUPAC1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
SMILESOC(CNCCc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NOS/c15-10-3-4-12(13(16)8-10)14(18)9-17-6-5-11-2-1-7-19-11/h1-4,7-8,14,17-18H,5-6,9H2
InChIKeyJQBGMPAPVDRCEL-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.89
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol

1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol (PubChem CID 60900670) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
PubChem CID60900670
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
SMILESOC(CNCCc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NOS/c15-10-3-4-12(13(16)8-10)14(18)9-17-6-5-11-2-1-7-19-11/h1-4,7-8,14,17-18H,5-6,9H2
InChIKeyJQBGMPAPVDRCEL-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol (CID 60900670) is 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol is OC(CNCCc1cccs1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The InChIKey is JQBGMPAPVDRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c15-10-3-4-12(13(16)8-10)14(18)9-17-6-5-11-2-1-7-19-11/h1-4,7-8,14,17-18H,5-6,9H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol has a molecular weight of 283.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol is sourced from PubChem (CID 60900670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).