3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol

C15H20FNO2 — CID 65202424

IUPAC3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
SMILESCCN(CC)CCOc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-3-17(4-2)9-11-19-14-8-7-13(6-5-10-18)15(16)12-14/h7-8,12,18H,3-4,9-11H2,1-2H3
InChIKeySNBJMBQJCQDZCX-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.89
Rot. Bonds6

About 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol

3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol (PubChem CID 65202424) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
PubChem CID65202424
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
SMILESCCN(CC)CCOc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-3-17(4-2)9-11-19-14-8-7-13(6-5-10-18)15(16)12-14/h7-8,12,18H,3-4,9-11H2,1-2H3
InChIKeySNBJMBQJCQDZCX-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol (CID 65202424) is 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol is CCN(CC)CCOc1ccc(C#CCO)c(F)c1.
What is the InChIKey of 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is SNBJMBQJCQDZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-17(4-2)9-11-19-14-8-7-13(6-5-10-18)15(16)12-14/h7-8,12,18H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol?
3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 265.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65202424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).