methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate

C14H14FNO3 — CID 104585887

IUPACmethyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCc2cccc(F)c2)c1
InChIInChI=1S/C14H14FNO3/c1-18-14(17)11-6-13(19-9-11)8-16-7-10-3-2-4-12(15)5-10/h2-6,9,16H,7-8H2,1H3
InChIKeyOWJCEZQKRLBXIY-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.50
Rot. Bonds5

About methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate

methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate (PubChem CID 104585887) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate
PubChem CID104585887
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCc2cccc(F)c2)c1
InChIInChI=1S/C14H14FNO3/c1-18-14(17)11-6-13(19-9-11)8-16-7-10-3-2-4-12(15)5-10/h2-6,9,16H,7-8H2,1H3
InChIKeyOWJCEZQKRLBXIY-UHFFFAOYSA-N
XLogP2.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
methyl 5-[(pyridin-3-ylmethylamino)methyl]furan-3-carboxylate
CID 104585767
methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585947
methyl 4-fluoro-3-[2-[(3-fluorophenyl)methylamino]ethylamino]benzoate
CID 118063651
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
methyl 5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylate
CID 104585702
methyl 5-[[(2-nitrophenyl)methylamino]methyl]furan-3-carboxylate
CID 104586002
methyl 5-[[(2-hydroxy-4-methylpentyl)amino]methyl]furan-3-carboxylate
CID 104586138
methyl 5-[(2-fluoro-5-methoxyanilino)methyl]furan-3-carboxylate
CID 104585663
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate (CID 104585887) is methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCc2cccc(F)c2)c1.
What is the InChIKey of methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate?
The InChIKey is OWJCEZQKRLBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-18-14(17)11-6-13(19-9-11)8-16-7-10-3-2-4-12(15)5-10/h2-6,9,16H,7-8H2,1H3.
What are the key properties of methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate?
methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).