3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

C18H21FO5S — CID 15542201

IUPAC3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(OCC2(CF)CC2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FO5S/c1-17(2)14(12-4-6-13(7-5-12)25(3,21)22)15(16(20)24-17)23-11-18(10-19)8-9-18/h4-7H,8-11H2,1-3H3
InChIKeyICQSRUKFFRALRV-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.90
Rot. Bonds6

About 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 15542201) has the molecular formula C18H21FO5S and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID15542201
Molecular FormulaC18H21FO5S
Molecular Weight368.43 g/mol
Exact Mass368.11
IUPAC Name3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(OCC2(CF)CC2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FO5S/c1-17(2)14(12-4-6-13(7-5-12)25(3,21)22)15(16(20)24-17)23-11-18(10-19)8-9-18/h4-7H,8-11H2,1-3H3
InChIKeyICQSRUKFFRALRV-UHFFFAOYSA-N
XLogP2.90
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-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-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (CID 15542201) is 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is CC1(C)OC(=O)C(OCC2(CF)CC2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is ICQSRUKFFRALRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO5S/c1-17(2)14(12-4-6-13(7-5-12)25(3,21)22)15(16(20)24-17)23-11-18(10-19)8-9-18/h4-7H,8-11H2,1-3H3.
What are the key properties of 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(fluoromethyl)cyclopropyl]methoxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 15542201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).