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

C14H18FNO3 — CID 117244261

IUPACmethyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-18-14(17)12(10-16-6-8-19-9-7-16)11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3
InChIKeyGOLLWGRRFNDMAJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.41
Rot. Bonds4

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

methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate (PubChem CID 117244261) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
PubChem CID117244261
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-18-14(17)12(10-16-6-8-19-9-7-16)11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3
InChIKeyGOLLWGRRFNDMAJ-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)-3-morpholin-4-ylpropanoate
CID 117243295
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723
methyl 2-(2-bromophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117244222
methyl 2-(5-chlorothiophen-2-yl)-3-morpholin-4-ylpropanoate
CID 117240898
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
methyl 2-(1,3-dioxoisoindol-2-yl)-3-morpholin-4-ylpropanoate
CID 54490539
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81379809
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate (CID 117244261) is methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate is COC(=O)C(CN1CCOCC1)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate?
The InChIKey is GOLLWGRRFNDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-14(17)12(10-16-6-8-19-9-7-16)11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate?
methyl 2-(2-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-(2-fluorophenyl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 117244261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).