4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide

C11H12F2OS — CID 171501387

IUPAC4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
SMILESC=S1(=O)CCC(F)(F)c2cccc(C)c21
InChIInChI=1S/C11H12F2OS/c1-8-4-3-5-9-10(8)15(2,14)7-6-11(9,12)13/h3-5H,2,6-7H2,1H3
InChIKeyRLSFZANPXWRCAS-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.57
Rot. Bonds

About 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide

4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide (PubChem CID 171501387) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide.

Molecular Properties

Compound Name4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
PubChem CID171501387
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
SMILESC=S1(=O)CCC(F)(F)c2cccc(C)c21
InChIInChI=1S/C11H12F2OS/c1-8-4-3-5-9-10(8)15(2,14)7-6-11(9,12)13/h3-5H,2,6-7H2,1H3
InChIKeyRLSFZANPXWRCAS-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide with MolForge

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

Launch Full Analysis

Related Compounds

4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
CID 163716192
4,4-difluoro-8-propan-2-yl-2,3-dihydrothiochromene 1,1-dioxide
CID 171501429
1,1-difluoro-3,3,4-trimethyl-2H-indene
CID 170185955
ethane;2-[1-(2-fluoro-3-methylphenyl)cyclopropyl]propan-2-ol
CID 164918618
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
(4R)-8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 93344706
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
N-[1-(2-methylphenyl)cyclopropyl]thiohydroxylamine
CID 144873991
1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
CID 84716994
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
methane;1'-methylspiro[cyclopentane-1,9'-fluorene]
CID 144945934
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
CID 84723182

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
The IUPAC name of 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide (CID 171501387) is 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide.
What is the SMILES notation for 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
The canonical SMILES for 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide is C=S1(=O)CCC(F)(F)c2cccc(C)c21.
What is the InChIKey of 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
The InChIKey is RLSFZANPXWRCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c1-8-4-3-5-9-10(8)15(2,14)7-6-11(9,12)13/h3-5H,2,6-7H2,1H3.
What are the key properties of 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide has a molecular weight of 230.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide is sourced from PubChem (CID 171501387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).