methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate

C14H18FNO3 — CID 117243295

IUPACmethyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)13(10-16-5-7-19-8-6-16)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10H2,1H3
InChIKeyHVTBMWQEFLPLRS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate

methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate (PubChem CID 117243295) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
PubChem CID117243295
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)13(10-16-5-7-19-8-6-16)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10H2,1H3
InChIKeyHVTBMWQEFLPLRS-UHFFFAOYSA-N
XLogP1.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117244261
methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate
CID 117240898
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
methyl 2-(1,3-dioxoisoindol-2-yl)-3-morpholin-4-ylpropanoate
CID 54490539
methyl 5-(3-fluorophenyl)-6-hydroxy-2-phenylhexanoate
CID 175141706
(E)-3-(3-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148657

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate?
The IUPAC name of methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate (CID 117243295) is methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate is COC(=O)C(CN1CCOCC1)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate?
The InChIKey is HVTBMWQEFLPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-14(17)13(10-16-5-7-19-8-6-16)11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate?
methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate has a molecular weight of 267.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 117243295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).