5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid

C13H11F2NO4 — CID 104608047

IUPAC5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccccc2OC(F)F)c1
InChIInChI=1S/C13H11F2NO4/c14-13(15)20-11-4-2-1-3-10(11)16-6-9-5-8(7-19-9)12(17)18/h1-5,7,13,16H,6H2,(H,17,18)
InChIKeyARXIUKJHANOXQG-UHFFFAOYSA-N
MW283.23 g/mol
LogP3.19
Rot. Bonds6

About 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid

5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid (PubChem CID 104608047) has the molecular formula C13H11F2NO4 and a molecular weight of 283.23 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
PubChem CID104608047
Molecular FormulaC13H11F2NO4
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Name5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2ccccc2OC(F)F)c1
InChIInChI=1S/C13H11F2NO4/c14-13(15)20-11-4-2-1-3-10(11)16-6-9-5-8(7-19-9)12(17)18/h1-5,7,13,16H,6H2,(H,17,18)
InChIKeyARXIUKJHANOXQG-UHFFFAOYSA-N
XLogP3.19
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536
5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid
CID 104608490
5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
5-[(2-methoxy-4-methylanilino)methyl]furan-3-carboxylic acid
CID 104608703
5-[(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608404
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28623990
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid
CID 104608250
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid (CID 104608047) is 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2ccccc2OC(F)F)c1.
What is the InChIKey of 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid?
The InChIKey is ARXIUKJHANOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4/c14-13(15)20-11-4-2-1-3-10(11)16-6-9-5-8(7-19-9)12(17)18/h1-5,7,13,16H,6H2,(H,17,18).
What are the key properties of 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid?
5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid has a molecular weight of 283.23 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).