4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine

C15H20FNO3 — CID 86795528

IUPAC4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
SMILESFc1cccc(C2CN(CCC3OCCO3)CCO2)c1
InChIInChI=1S/C15H20FNO3/c16-13-3-1-2-12(10-13)14-11-17(6-7-18-14)5-4-15-19-8-9-20-15/h1-3,10,14-15H,4-9,11H2
InChIKeyMYODOEWXZJDBMS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.96
Rot. Bonds4

About 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine

4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine (PubChem CID 86795528) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
PubChem CID86795528
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
SMILESFc1cccc(C2CN(CCC3OCCO3)CCO2)c1
InChIInChI=1S/C15H20FNO3/c16-13-3-1-2-12(10-13)14-11-17(6-7-18-14)5-4-15-19-8-9-20-15/h1-3,10,14-15H,4-9,11H2
InChIKeyMYODOEWXZJDBMS-UHFFFAOYSA-N
XLogP1.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-4-[2-(1,3-dioxolan-2-yl)ethyl]morpholin-2-yl]benzonitrile
CID 124888664
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917
5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 138003841
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
CID 60609509
4-[[(2R)-2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-methoxyphenol
CID 124614792
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine?
The IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine (CID 86795528) is 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine.
What is the SMILES notation for 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine?
The canonical SMILES for 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine is Fc1cccc(C2CN(CCC3OCCO3)CCO2)c1.
What is the InChIKey of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine?
The InChIKey is MYODOEWXZJDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-13-3-1-2-12(10-13)14-11-17(6-7-18-14)5-4-15-19-8-9-20-15/h1-3,10,14-15H,4-9,11H2.
What are the key properties of 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine?
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine has a molecular weight of 281.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine is sourced from PubChem (CID 86795528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).