methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate

C13H12FNO3 — CID 104585655

IUPACmethyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccccc2F)c1
InChIInChI=1S/C13H12FNO3/c1-17-13(16)9-6-10(18-8-9)7-15-12-5-3-2-4-11(12)14/h2-6,8,15H,7H2,1H3
InChIKeyCFBDMMDAOKPKBW-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.82
Rot. Bonds4

About methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate

methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate (PubChem CID 104585655) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
PubChem CID104585655
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Namemethyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccccc2F)c1
InChIInChI=1S/C13H12FNO3/c1-17-13(16)9-6-10(18-8-9)7-15-12-5-3-2-4-11(12)14/h2-6,8,15H,7H2,1H3
InChIKeyCFBDMMDAOKPKBW-UHFFFAOYSA-N
XLogP2.82
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylate
CID 104585702
methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
methyl 5-[(2-fluoro-5-methoxyanilino)methyl]furan-3-carboxylate
CID 104585663
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
methyl 5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-3-carboxylate
CID 107644134
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
methyl 5-[(2-bromo-4-chloroanilino)methyl]furan-3-carboxylate
CID 104609130
methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate
CID 104608982
5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylic acid
CID 104608807
methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate
CID 104586718
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
methyl 5-[(3-ethynylanilino)methyl]furan-3-carboxylate
CID 104607899

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate (CID 104585655) is methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNc2ccccc2F)c1.
What is the InChIKey of methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate?
The InChIKey is CFBDMMDAOKPKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-17-13(16)9-6-10(18-8-9)7-15-12-5-3-2-4-11(12)14/h2-6,8,15H,7H2,1H3.
What are the key properties of methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate?
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate has a molecular weight of 249.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104585655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).