[4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol

C17H24FNO4 — CID 68894377

IUPAC[4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol
SMILESOCC1CN(CCCC2(c3ccc(F)cc3)OCCO2)CCO1
InChIInChI=1S/C17H24FNO4/c18-15-4-2-14(3-5-15)17(22-10-11-23-17)6-1-7-19-8-9-21-16(12-19)13-20/h2-5,16,20H,1,6-13H2
InChIKeyAIWGDIACGLFZNC-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.50
Rot. Bonds6

About [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol

[4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol (PubChem CID 68894377) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol
PubChem CID68894377
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name[4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol
SMILESOCC1CN(CCCC2(c3ccc(F)cc3)OCCO2)CCO1
InChIInChI=1S/C17H24FNO4/c18-15-4-2-14(3-5-15)17(22-10-11-23-17)6-1-7-19-8-9-21-16(12-19)13-20/h2-5,16,20H,1,6-13H2
InChIKeyAIWGDIACGLFZNC-UHFFFAOYSA-N
XLogP1.50
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol (CID 68894377) is [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol is OCC1CN(CCCC2(c3ccc(F)cc3)OCCO2)CCO1.
What is the InChIKey of [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol?
The InChIKey is AIWGDIACGLFZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO4/c18-15-4-2-14(3-5-15)17(22-10-11-23-17)6-1-7-19-8-9-21-16(12-19)13-20/h2-5,16,20H,1,6-13H2.
What are the key properties of [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol?
[4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol has a molecular weight of 325.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]morpholin-2-yl]methanol is sourced from PubChem (CID 68894377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).