3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

C19H16F2O5S — CID 10200639

IUPAC3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(Oc2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H16F2O5S/c1-19(2)16(11-4-6-15(7-5-11)27(3,23)24)17(18(22)26-19)25-14-9-12(20)8-13(21)10-14/h4-10H,1-3H3
InChIKeyCSYDLWAKOSNOAE-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.49
Rot. Bonds4

About 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 10200639) has the molecular formula C19H16F2O5S and a molecular weight of 394.40 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID10200639
Molecular FormulaC19H16F2O5S
Molecular Weight394.40 g/mol
Exact Mass394.07
IUPAC Name3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(Oc2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H16F2O5S/c1-19(2)16(11-4-6-15(7-5-11)27(3,23)24)17(18(22)26-19)25-14-9-12(20)8-13(21)10-14/h4-10H,1-3H3
InChIKeyCSYDLWAKOSNOAE-UHFFFAOYSA-N
XLogP3.49
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (CID 10200639) is 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is CC1(C)OC(=O)C(Oc2cc(F)cc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is CSYDLWAKOSNOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O5S/c1-19(2)16(11-4-6-15(7-5-11)27(3,23)24)17(18(22)26-19)25-14-9-12(20)8-13(21)10-14/h4-10H,1-3H3.
What are the key properties of 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 394.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 10200639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).