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

C13H16FNO3 — CID 116860419

IUPACmethyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
SMILESCOC(=O)C(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C13H16FNO3/c1-17-13(16)12(15-5-7-18-8-6-15)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3
InChIKeyIYXGJYXETAVNAW-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.37
Rot. Bonds3

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

methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate (PubChem CID 116860419) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
PubChem CID116860419
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
SMILESCOC(=O)C(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C13H16FNO3/c1-17-13(16)12(15-5-7-18-8-6-15)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3
InChIKeyIYXGJYXETAVNAW-UHFFFAOYSA-N
XLogP1.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117243295
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119499108
(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
CID 125134200
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71998621
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
(2S)-N-[4-[(carbamoylamino)methyl]phenyl]-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 97077185
methyl 2-(3-hydroxyphenyl)-2-piperazin-1-ylacetate
CID 54894645
2-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 71912984
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate?
The IUPAC name of methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate (CID 116860419) is methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate is COC(=O)C(c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate?
The InChIKey is IYXGJYXETAVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-13(16)12(15-5-7-18-8-6-15)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3.
What are the key properties of methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate?
methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate has a molecular weight of 253.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate is sourced from PubChem (CID 116860419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).