methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate

C13H15F2NO3 — CID 113253204

IUPACmethyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO3/c1-18-13(17)12-8-19-5-4-16(12)7-9-2-3-10(14)6-11(9)15/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyDTJZOFWARLFEST-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.34
Rot. Bonds3

About methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate

methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate (PubChem CID 113253204) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
PubChem CID113253204
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO3/c1-18-13(17)12-8-19-5-4-16(12)7-9-2-3-10(14)6-11(9)15/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyDTJZOFWARLFEST-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 1-[(2,4-difluorophenyl)methyl]azetidine-2-carboxylate
CID 112581393
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(2-bromo-4-nitrophenyl)methyl]morpholine-3-carboxylate
CID 104775034

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate (CID 113253204) is methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1ccc(F)cc1F.
What is the InChIKey of methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate?
The InChIKey is DTJZOFWARLFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-18-13(17)12-8-19-5-4-16(12)7-9-2-3-10(14)6-11(9)15/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate?
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate has a molecular weight of 271.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 113253204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).