(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol

C13H15FO2S — CID 104948122

IUPAC(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
SMILESCC1CC2(CS1)C[C@H](O)c1cc(F)ccc1O2
InChIInChI=1S/C13H15FO2S/c1-8-5-13(7-17-8)6-11(15)10-4-9(14)2-3-12(10)16-13/h2-4,8,11,15H,5-7H2,1H3/t8?,11-,13?/m0/s1
InChIKeySEBTUNMKFWRTHM-SAVVLTDYSA-N
MW254.33 g/mol
LogP2.91
Rot. Bonds

About (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol

(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol (PubChem CID 104948122) has the molecular formula C13H15FO2S and a molecular weight of 254.33 g/mol. Its IUPAC name is (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
PubChem CID104948122
Molecular FormulaC13H15FO2S
Molecular Weight254.33 g/mol
Exact Mass254.08
IUPAC Name(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
SMILESCC1CC2(CS1)C[C@H](O)c1cc(F)ccc1O2
InChIInChI=1S/C13H15FO2S/c1-8-5-13(7-17-8)6-11(15)10-4-9(14)2-3-12(10)16-13/h2-4,8,11,15H,5-7H2,1H3/t8?,11-,13?/m0/s1
InChIKeySEBTUNMKFWRTHM-SAVVLTDYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol with MolForge

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Related Compounds

(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104948293
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714190
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104949633
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
(4R)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948425
(4S)-6-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948203
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
(4S)-6-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948042

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The IUPAC name of (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol (CID 104948122) is (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol.
What is the SMILES notation for (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The canonical SMILES for (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol is CC1CC2(CS1)C[C@H](O)c1cc(F)ccc1O2.
What is the InChIKey of (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The InChIKey is SEBTUNMKFWRTHM-SAVVLTDYSA-N. The full InChI is InChI=1S/C13H15FO2S/c1-8-5-13(7-17-8)6-11(15)10-4-9(14)2-3-12(10)16-13/h2-4,8,11,15H,5-7H2,1H3/t8?,11-,13?/m0/s1.
What are the key properties of (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol has a molecular weight of 254.33 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol is sourced from PubChem (CID 104948122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).