(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol

C15H19FO2S — CID 104948293

IUPAC(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
SMILESCC1(C)CSCC2(C[C@@H](O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C15H19FO2S/c1-14(2)7-15(9-19-8-14)6-12(17)11-5-10(16)3-4-13(11)18-15/h3-5,12,17H,6-9H2,1-2H3/t12-,15?/m1/s1
InChIKeyYOIREOYLJWGPQB-KEKZHRQWSA-N
MW282.38 g/mol
LogP3.54
Rot. Bonds

About (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol

(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol (PubChem CID 104948293) has the molecular formula C15H19FO2S and a molecular weight of 282.38 g/mol. Its IUPAC name is (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol.

Molecular Properties

Compound Name(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
PubChem CID104948293
Molecular FormulaC15H19FO2S
Molecular Weight282.38 g/mol
Exact Mass282.11
IUPAC Name(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
SMILESCC1(C)CSCC2(C[C@@H](O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C15H19FO2S/c1-14(2)7-15(9-19-8-14)6-12(17)11-5-10(16)3-4-13(11)18-15/h3-5,12,17H,6-9H2,1-2H3/t12-,15?/m1/s1
InChIKeyYOIREOYLJWGPQB-KEKZHRQWSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
The IUPAC name of (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol (CID 104948293) is (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol.
What is the SMILES notation for (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
The canonical SMILES for (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol is CC1(C)CSCC2(C[C@@H](O)c3cc(F)ccc3O2)C1.
What is the InChIKey of (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
The InChIKey is YOIREOYLJWGPQB-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H19FO2S/c1-14(2)7-15(9-19-8-14)6-12(17)11-5-10(16)3-4-13(11)18-15/h3-5,12,17H,6-9H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol?
(4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol has a molecular weight of 282.38 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol is sourced from PubChem (CID 104948293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).