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

C13H11FO3S — CID 3244640

IUPAC5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSCc2ccccc2F)o1
InChIInChI=1S/C13H11FO3S/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(17-10)13(15)16/h1-6H,7-8H2,(H,15,16)
InChIKeyRSESNYYJKLUSQA-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.55
Rot. Bonds5

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

5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid (PubChem CID 3244640) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid
PubChem CID3244640
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSCc2ccccc2F)o1
InChIInChI=1S/C13H11FO3S/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(17-10)13(15)16/h1-6H,7-8H2,(H,15,16)
InChIKeyRSESNYYJKLUSQA-UHFFFAOYSA-N
XLogP3.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(Trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 647499
5-((Benzenesulfonyl)methyl)furan-2-carboxylic acid
CID 4962124
5-(2-methylphenyl)furan-2-carboxylic Acid
CID 5177574
5-Phenylfuran-2-carboxylic acid
CID 736255
5-(3-(Trifluoromethyl)phenyl)-2-furoic acid
CID 688281
5-{[(4-Acetyl-2,5-dimethyl-3-furyl)methylthio]methyl}furan-2-carboxylic acid
CID 602926
2-{[(5-Carboxyfuran-2-yl)methyl]sulfanyl}butanedioic acid
CID 660371
3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid
CID 774802
5-[(Butylsulfanyl)methyl]furan-2-carboxylic acid
CID 1939399
5-(2-Fluorophenyl)furan-2-carboxylic acid
CID 736322
5-(4-Fluorophenyl)furan-2-carboxylic acid
CID 738991
5-(4-Methylphenyl)-2-furoic acid
CID 854664

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid (CID 3244640) is 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CSCc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is RSESNYYJKLUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(17-10)13(15)16/h1-6H,7-8H2,(H,15,16).
What are the key properties of 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid?
5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 266.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 3244640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).