4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one

C16H16F2O4S — CID 18754726

IUPAC4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1cc(F)c(C2=C(C3CCCC3)C(=O)OC2)cc1F
InChIInChI=1S/C16H16F2O4S/c1-23(20,21)14-7-12(17)10(6-13(14)18)11-8-22-16(19)15(11)9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyNCFUDBBXGCWOTI-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.87
Rot. Bonds3

About 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one

4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (PubChem CID 18754726) has the molecular formula C16H16F2O4S and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
PubChem CID18754726
Molecular FormulaC16H16F2O4S
Molecular Weight342.36 g/mol
Exact Mass342.07
IUPAC Name4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1cc(F)c(C2=C(C3CCCC3)C(=O)OC2)cc1F
InChIInChI=1S/C16H16F2O4S/c1-23(20,21)14-7-12(17)10(6-13(14)18)11-8-22-16(19)15(11)9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyNCFUDBBXGCWOTI-UHFFFAOYSA-N
XLogP2.87
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The IUPAC name of 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (CID 18754726) is 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The canonical SMILES for 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is CS(=O)(=O)c1cc(F)c(C2=C(C3CCCC3)C(=O)OC2)cc1F.
What is the InChIKey of 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The InChIKey is NCFUDBBXGCWOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4S/c1-23(20,21)14-7-12(17)10(6-13(14)18)11-8-22-16(19)15(11)9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one has a molecular weight of 342.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is sourced from PubChem (CID 18754726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).