methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate

C13H16FNO3 — CID 78926315

IUPACmethyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C13H16FNO3/c1-17-13(16)12-9-15(6-7-18-12)8-10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3
InChIKeyLALOZGGJVHLPMN-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.20
Rot. Bonds3

About methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate

methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate (PubChem CID 78926315) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
PubChem CID78926315
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namemethyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C13H16FNO3/c1-17-13(16)12-9-15(6-7-18-12)8-10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3
InChIKeyLALOZGGJVHLPMN-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
CID 115533840
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl (2R)-4-[[1-[(2-cyanophenyl)methyl]pyrrol-2-yl]methyl]morpholine-2-carboxylate
CID 99823653
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
methyl 4-[2-(benzylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78925882

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate (CID 78926315) is methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2ccccc2F)CCO1.
What is the InChIKey of methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate?
The InChIKey is LALOZGGJVHLPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-17-13(16)12-9-15(6-7-18-12)8-10-4-2-3-5-11(10)14/h2-5,12H,6-9H2,1H3.
What are the key properties of methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate?
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate has a molecular weight of 253.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).