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

C17H18F2O4S — CID 18754513

IUPAC4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1cc(F)c(C2=C(C3CCCCC3)C(=O)OC2)cc1F
InChIInChI=1S/C17H18F2O4S/c1-24(21,22)15-8-13(18)11(7-14(15)19)12-9-23-17(20)16(12)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKeySAKIHGWIHUXCHZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.26
Rot. Bonds3

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

4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (PubChem CID 18754513) has the molecular formula C17H18F2O4S and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
PubChem CID18754513
Molecular FormulaC17H18F2O4S
Molecular Weight356.39 g/mol
Exact Mass356.09
IUPAC Name4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1cc(F)c(C2=C(C3CCCCC3)C(=O)OC2)cc1F
InChIInChI=1S/C17H18F2O4S/c1-24(21,22)15-8-13(18)11(7-14(15)19)12-9-23-17(20)16(12)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKeySAKIHGWIHUXCHZ-UHFFFAOYSA-N
XLogP3.26
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The IUPAC name of 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (CID 18754513) is 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The canonical SMILES for 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is CS(=O)(=O)c1cc(F)c(C2=C(C3CCCCC3)C(=O)OC2)cc1F.
What is the InChIKey of 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The InChIKey is SAKIHGWIHUXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O4S/c1-24(21,22)15-8-13(18)11(7-14(15)19)12-9-23-17(20)16(12)10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one has a molecular weight of 356.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is sourced from PubChem (CID 18754513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).