2-fluoro-5-(furan-3-ylmethylamino)benzoic acid

C12H10FNO3 — CID 63204868

IUPAC2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
SMILESO=C(O)c1cc(NCc2ccoc2)ccc1F
InChIInChI=1S/C12H10FNO3/c13-11-2-1-9(5-10(11)12(15)16)14-6-8-3-4-17-7-8/h1-5,7,14H,6H2,(H,15,16)
InChIKeySVCCAYFMUGJDMZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.73
Rot. Bonds4

About 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid

2-fluoro-5-(furan-3-ylmethylamino)benzoic acid (PubChem CID 63204868) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
PubChem CID63204868
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
SMILESO=C(O)c1cc(NCc2ccoc2)ccc1F
InChIInChI=1S/C12H10FNO3/c13-11-2-1-9(5-10(11)12(15)16)14-6-8-3-4-17-7-8/h1-5,7,14H,6H2,(H,15,16)
InChIKeySVCCAYFMUGJDMZ-UHFFFAOYSA-N
XLogP2.73
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid (CID 63204868) is 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid is O=C(O)c1cc(NCc2ccoc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid?
The InChIKey is SVCCAYFMUGJDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-11-2-1-9(5-10(11)12(15)16)14-6-8-3-4-17-7-8/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid?
2-fluoro-5-(furan-3-ylmethylamino)benzoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(furan-3-ylmethylamino)benzoic acid is sourced from PubChem (CID 63204868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).