5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid

C12H8F2O3S — CID 43244560

IUPAC5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSc2cc(F)ccc2F)o1
InChIInChI=1S/C12H8F2O3S/c13-7-1-3-9(14)11(5-7)18-6-8-2-4-10(17-8)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyOYKFBOYRUHWGSQ-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.55
Rot. Bonds4

About 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid

5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 43244560) has the molecular formula C12H8F2O3S and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
PubChem CID43244560
Molecular FormulaC12H8F2O3S
Molecular Weight270.26 g/mol
Exact Mass270.02
IUPAC Name5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CSc2cc(F)ccc2F)o1
InChIInChI=1S/C12H8F2O3S/c13-7-1-3-9(14)11(5-7)18-6-8-2-4-10(17-8)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyOYKFBOYRUHWGSQ-UHFFFAOYSA-N
XLogP3.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid (CID 43244560) is 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CSc2cc(F)ccc2F)o1.
What is the InChIKey of 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is OYKFBOYRUHWGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O3S/c13-7-1-3-9(14)11(5-7)18-6-8-2-4-10(17-8)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid?
5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 43244560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).