methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate

C14H18FNO4 — CID 103749535

IUPACmethyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C14H18FNO4/c1-19-14(18)12-3-2-10(6-13(12)15)7-16-4-5-20-11(8-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyCJCXIJFBNLVLCZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate

methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate (PubChem CID 103749535) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
PubChem CID103749535
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCOC(CO)C2)cc1F
InChIInChI=1S/C14H18FNO4/c1-19-14(18)12-3-2-10(6-13(12)15)7-16-4-5-20-11(8-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3
InChIKeyCJCXIJFBNLVLCZ-UHFFFAOYSA-N
XLogP0.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-cyanomorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749404
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79833294
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81203095
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371
methyl 4-[(3-carbamoylpyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 103749383
methyl 2-fluoro-4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoate
CID 103749428
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 4-[(4-ethoxypiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749261
methyl 2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoate
CID 106699045

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate (CID 103749535) is methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCOC(CO)C2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate?
The InChIKey is CJCXIJFBNLVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-19-14(18)12-3-2-10(6-13(12)15)7-16-4-5-20-11(8-16)9-17/h2-3,6,11,17H,4-5,7-9H2,1H3.
What are the key properties of methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate?
methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate has a molecular weight of 283.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate is sourced from PubChem (CID 103749535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).