5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid

C14H14FNO3 — CID 62984008

IUPAC5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid
SMILESCC(c1ccccc1F)N(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14FNO3/c1-9(10-5-3-4-6-11(10)15)16(2)13-8-7-12(19-13)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyKYJUSKPFAXPSGC-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.31
Rot. Bonds4

About 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid

5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid (PubChem CID 62984008) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid
PubChem CID62984008
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid
SMILESCC(c1ccccc1F)N(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14FNO3/c1-9(10-5-3-4-6-11(10)15)16(2)13-8-7-12(19-13)14(17)18/h3-9H,1-2H3,(H,17,18)
InChIKeyKYJUSKPFAXPSGC-UHFFFAOYSA-N
XLogP3.31
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid (CID 62984008) is 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid is CC(c1ccccc1F)N(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid?
The InChIKey is KYJUSKPFAXPSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9(10-5-3-4-6-11(10)15)16(2)13-8-7-12(19-13)14(17)18/h3-9H,1-2H3,(H,17,18).
What are the key properties of 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid?
5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)ethyl-methylamino]furan-2-carboxylic acid is sourced from PubChem (CID 62984008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).