5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid

C14H14FNO3 — CID 82140567

IUPAC5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid
SMILESNCC(Cc1ccc(C(=O)O)o1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3/c15-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(19-12)14(17)18/h1-6,10H,7-8,16H2,(H,17,18)
InChIKeyLFVPGYIWDOGYLQ-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.40
Rot. Bonds5

About 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid

5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid (PubChem CID 82140567) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid
PubChem CID82140567
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid
SMILESNCC(Cc1ccc(C(=O)O)o1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3/c15-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(19-12)14(17)18/h1-6,10H,7-8,16H2,(H,17,18)
InChIKeyLFVPGYIWDOGYLQ-UHFFFAOYSA-N
XLogP2.40
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid (CID 82140567) is 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid is NCC(Cc1ccc(C(=O)O)o1)c1ccc(F)cc1.
What is the InChIKey of 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid?
The InChIKey is LFVPGYIWDOGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c15-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(19-12)14(17)18/h1-6,10H,7-8,16H2,(H,17,18).
What are the key properties of 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid?
5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-2-(4-fluorophenyl)propyl]furan-2-carboxylic acid is sourced from PubChem (CID 82140567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).