5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid

C12H10FNO3 — CID 62204416

IUPAC5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccccc2F)o1
InChIInChI=1S/C12H10FNO3/c13-9-4-2-1-3-8(9)7-14-11-6-5-10(17-11)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyLFNDXUKTLPOEMF-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.73
Rot. Bonds4

About 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid

5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid (PubChem CID 62204416) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid
PubChem CID62204416
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccccc2F)o1
InChIInChI=1S/C12H10FNO3/c13-9-4-2-1-3-8(9)7-14-11-6-5-10(17-11)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyLFNDXUKTLPOEMF-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 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid (CID 62204416) is 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid is O=C(O)c1ccc(NCc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid?
The InChIKey is LFNDXUKTLPOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-4-2-1-3-8(9)7-14-11-6-5-10(17-11)12(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid?
5-[(2-fluorophenyl)methylamino]furan-2-carboxylic 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 5-[(2-fluorophenyl)methylamino]furan-2-carboxylic acid is sourced from PubChem (CID 62204416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).