4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide

C11H12F2OS — CID 163716192

IUPAC4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
SMILESC=S1(=O)CCC(F)(F)c2cc(C)ccc21
InChIInChI=1S/C11H12F2OS/c1-8-3-4-10-9(7-8)11(12,13)5-6-15(10,2)14/h3-4,7H,2,5-6H2,1H3
InChIKeyODEAOMWJZASVMZ-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.57
Rot. Bonds

About 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide

4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide (PubChem CID 163716192) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide.

Molecular Properties

Compound Name4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
PubChem CID163716192
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
SMILESC=S1(=O)CCC(F)(F)c2cc(C)ccc21
InChIInChI=1S/C11H12F2OS/c1-8-3-4-10-9(7-8)11(12,13)5-6-15(10,2)14/h3-4,7H,2,5-6H2,1H3
InChIKeyODEAOMWJZASVMZ-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'}

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Related Compounds

4,4-difluoro-8-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide
CID 171501387
3,3-difluoro-5-methyl-1,2-dihydroindene
CID 84717285
4,4,6-trimethyl-2,3-dihydrothiochromene 1,1-dioxide
CID 70336746
9,9-difluoro-2,7-dimethylfluorene
CID 58776367
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
4,4-difluoro-7-methyl-2,3-dihydrochromene
CID 84718817
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
5-methyl-2-methylidenespiro[1H-indole-3,1'-cyclopentane]
CID 22953154
1,1-difluoro-2'-methylspiro[cyclobutane-3,9'-fluorene]
CID 163562486
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
The IUPAC name of 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide (CID 163716192) is 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide.
What is the SMILES notation for 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
The canonical SMILES for 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide is C=S1(=O)CCC(F)(F)c2cc(C)ccc21.
What is the InChIKey of 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
The InChIKey is ODEAOMWJZASVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2OS/c1-8-3-4-10-9(7-8)11(12,13)5-6-15(10,2)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 4,4-difluoro-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide?
4,4-difluoro-6-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-6-methyl-1-methylidene-2,3-dihydrothiochromene 1-oxide is sourced from PubChem (CID 163716192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).