methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate

C13H15ClFNO3 — CID 103886869

IUPACmethyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFNO3/c1-18-13(17)11-8-19-6-5-16(11)7-9-3-2-4-10(14)12(9)15/h2-4,11H,5-8H2,1H3
InChIKeySUMBHFJHQUQLRK-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.85
Rot. Bonds3

About methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate

methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate (PubChem CID 103886869) has the molecular formula C13H15ClFNO3 and a molecular weight of 287.72 g/mol. Its IUPAC name is methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
PubChem CID103886869
Molecular FormulaC13H15ClFNO3
Molecular Weight287.72 g/mol
Exact Mass287.07
IUPAC Namemethyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFNO3/c1-18-13(17)11-8-19-6-5-16(11)7-9-3-2-4-10(14)12(9)15/h2-4,11H,5-8H2,1H3
InChIKeySUMBHFJHQUQLRK-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate (CID 103886869) is methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1cccc(Cl)c1F.
What is the InChIKey of methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate?
The InChIKey is SUMBHFJHQUQLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3/c1-18-13(17)11-8-19-6-5-16(11)7-9-3-2-4-10(14)12(9)15/h2-4,11H,5-8H2,1H3.
What are the key properties of methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate?
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate has a molecular weight of 287.72 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 103886869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).